JAZL/ChemGist-CHON huggingface dataset:
Compound: ETOXADROL
SMILES: O1[C@](OC[C@@H]1[C@H]2NCCCC2)(c3ccccc3)CC
InChIKey: INOYCBNLWYEPSB-XHSDSOJGSA-N
Synonyms: ETOXADROL, Etoxadrolum, SIQ2UWR01K, 28189-85-7, NSC-288020, DTXSID10912322, Piperidine, 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)-, RefChem:921339, DTXCID001341344, Etoxadrol, (+/-)-, Etoxadrol [INN], RO44G6QT80, UNII-RO44G6QT80, (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine, 30163-01-0, Piperidine, 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)-, (2alpha,4beta(R*))-(+/-)-, ETOXADROL [MI], UNII-SIQ2UWR01K, Etoxadrolum [INN-Latin], CHEMBL305904, orb1689599, SCHEMBL1066638, CHEBI:135073, BDBM50130938, NSC 288020, HY-107040, CS-0027193, Q5404857, (+)-2-(2-Ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine, PIPERIDINE, 2-(2-ETHYL-2-PHENYL-1,3-DIOXOLAN-4-YL), (2S)-2-((2S,4S))-2-(2-ETHYL-2-PHENYL-1,3-DIOXOLAN-4-YL)PIPERIDINE, PIPERIDINE, 2-(2-ETHYL-2-PHENYL-1,3-DIOXOLAN-4-YL)-, (2.ALPHA.,4.BETA.(R*))-(+/-)-
Theoretical properties:
molecular_formula: C16H23NO2
molecular_weight: 261.36 g/mol
exact_mass: 261.172878976 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 19
topological_polar_surface_area: 30.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Etoxadrol is a ketal.
chembl: ETOXADROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Etoxadrol (CL-1848C) is a dissociative anaesthetic drug that has been found to be an NMDA antagonist and produce similar effects to PCP in animals. Etoxadrol, along with another related drug dexoxadrol, were developed as analgesics for use in humans, but development was discontinued in the late 1970s after patients reported side effects such as nightmares and hallucinations.
Compound: Meptazinol
SMILES: Oc1cc(ccc1)C2(CN(CCCC2)C)CC
InChIKey: JLICHNCFTLFZJN-UHFFFAOYSA-N
Synonyms: Meptazinol, 54340-58-8, 3-(3-ethyl-1-methylazepan-3-yl)phenol, Meptazinolum, 18Y7S5JKZD, Phenol, 3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)-, IL-22811, DTXSID6048543, M-(3-ETHYLHEXAHYDRO-1-METHYL-1H-AZEPIN-3-YL)PHENOL, RefChem:156527, DTXCID9028099, N02AX05, 259-109-9, Meptazinol (INN), 3-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol, MEPTAZINOL [INN], Meptazinol [INN:BAN], Meptazinolum [INN-Latin], EINECS 259-109-9, UNII-18Y7S5JKZD, BRN 1462600, MEPTAZINOL [MI], Prestwick0_001004, Prestwick1_001004, Prestwick2_001004, Prestwick3_001004, MEPTAZINOL [WHO-DD], SCHEMBL25404, BSPBio_001127, 5-21-02-00462 (Beilstein Handbook Reference), SPBio_003008, BPBio1_001241, CHEMBL314437, GTPL9083, CHEBI:91484, (+/-)-3-(3-ethyl-1-methylhexahydro-1H-azepin-3-yl)phenol, ECA34058, BDBM50373116, AKOS015842890, DB13478, HS-0011, 3-(3-ethyl-1-methyl-3-azepanyl)phenol, NCGC00179295-01, AB00514706, NS00000603, D08182, AB00514706_06, Q410618, BRD-A02710418-003-03-5, BRD-A02710418-003-11-8, BRD-A02710418-003-12-6, 3-Ethyl-hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepine
Theoretical properties:
molecular_formula: C15H23NO
molecular_weight: 233.35 g/mol
exact_mass: 233.177964357 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 23.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-(3-ethyl-1-methyl-3-azepanyl)phenol is a member of azepanes.
chembl: MEPTAZINOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Meptazinol, sold under the brand name Meptid, is an opioid analgesic developed by Wyeth in the 1970s. Indications for use in moderate to severe pain, most commonly used to treat pain in obstetrics (childbirth).
Meptazinol is a 3-phenylazepane derivative, whereas the other phenazepanes like ethoheptazine and proheptazine are 4-phenylazepanes.
A partial μ-opioid receptor agonist, its mixed agonist/antagonist activity affords it a lower risk of dependence and abuse than full μ agonists like morphine. Meptazinol exhibits not only a short onset of action, but also a shorter duration of action relative to other opioids such as morphine, pentazocine, or buprenorphine.
Review:
Compound: dl-alpha-Prodine
SMILES: O=C(O[C@]1(c2ccccc2)[C@@H](CN(C)CC1)C)CC
InChIKey: UVAZQQHAVMNMHE-CJNGLKHVSA-N
Synonyms: dl-alpha-Prodine, SCHEMBL248367, AKOS015842718, DB13160, Q5666520
Theoretical properties:
molecular_formula: C16H23NO2
molecular_weight: 261.36 g/mol
exact_mass: 261.172878976 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 19
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": null, "chebi": null, "chembl": null, "wikipedia": "Prodine (trade names Prisilidine and Nisentil) is an opioid analgesic that is an analog of pethidine (meperidine).  It was developed in Germany in the late 1940s.\nThere are two isomers of the trans form of prodine, alphaprodine and betaprodine.  Both exhibit optical isomerism and alphaprodine and betaprodine are racemates.  Alphaprodine is closely related to desomorphine in steric configuration. The cis form also has active isomers but none are used in medicine. Betaprodine is around five times more potent than alphaprodine but is metabolized more rapidly, and only alphaprodine was developed for medicinal use. It has similar activity to pethidine, but with a more rapid onset and shorter duration of effects.  Betaprodine produces more euphoria and side effects than alphaprodine at all dose levels, and it was found that 5 to 10 mg of betaprodine is equivalent to 25 to 40 mg of alphaprodine.\nTesting in rats showed alphaprodine to be 97% the strength of morphine via the subcutaneous route and 140% the strength of oral methadone.  Betaprodine was 550% stronger than morphine SC, the laevorotatory cis isomer was 350% stronger, and the dextrorotatory cis isomer was 790% stronger.  Betaprodine taken orally was 420% stronger than oral methadone, the cis form was 390% stronger for the laevorotatory and 505% stronger for the dextrorotatory isomers.\n\nAlphaprodine was sold under several brand names, mainly Nisentil and Prisilidine. It was most commonly used for pain relief during childbirth and dentistry, as well as for some minor surgical procedures.  Alphaprodine has a duration of action of 1 to 2 hours, and 40 to 60 mg is equivalent to 10 mg of subcutaneous morphine.\nProdine has broadly similar effects to other opioids, producing analgesia, sedation and euphoria. Side effects can include excessive itching, nausea, vomiting and potentially serious respiratory depression which can lead to life-threatening respiratory arrest. Respiratory depression can be a problem with alphaprodine even at normal therapeutic doses. Unlike pethidine, prodine does not produce toxic metabolites and is therefore more suitable for high-dose therapy.\n\n"}
Compound: Vitamin B15
SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)CN(C)C
InChIKey: ZQTHOIGMSJMBLM-BUJSFMDZSA-N
Synonyms: Vitamin B15, 20858-86-0, MPQ53A9F5C, DTXSID70883201, D-Gluconic acid, 6-ester with N,N-dimethylglycine, RefChem:169868, DTXCID801022754, 236-087-9, Pangamic acid, UNII-MPQ53A9F5C, (2R,3S,4R,5R)-6-[2-(dimethylamino)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid, (2R,3S,4R,5R)-6-((Dimethylglycyl)oxy)-2,3,4,5-tetrahydroxyhexanoic acid, PANGAMIC ACID [MI], 12770-30-8, PANGAMIC ACID [MART.], orb1989644, SCHEMBL3657786, PANGAMIC ACID [WHO-DD], CHEMBL3707449, HY-N7384, AKOS040740959, DA-68608, 6-O-(N,N-Dimethylglycyl)-D-gluconic acid, CS-0114384, Q420405, GLYCINE, N,N-DIMETHYL-, 6-ESTER WITH D-GLUCONIC ACID
Theoretical properties:
molecular_formula: C10H19NO8
molecular_weight: 281.26 g/mol
exact_mass: 281.11106656 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 9
heavy_atom_count: 19
topological_polar_surface_area: 148 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: PANGAMIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Pangamic acid, also called pangamate, is the name given to a chemical compound discovered by Ernst T. Krebs Sr. His son, Ernst T. Krebs Jr., promoted it as a medicinal compound for use in treatment of a wide range of diseases.  They also termed this chemical "vitamin B15", though it is not a true vitamin, has no nutritional value, has no known use in the treatment of any disease, and has been called a "quack remedy".  Although a number of compounds labelled "pangamic acid" have been studied or sold (including the 1951 d-gluconodimethylamino acetic acid), no chemical compound, including those claimed by the Krebses to be pangamic acid, has been scientifically verified to have the characteristics that defined the original description of the compound. 
The Krebses derived the term "pangamic" to describe this compound which they asserted to be ubiquitous and highly concentrated in seeds (pan meaning "universal" and gamic meaning "seed").
Compound: Acetoxyketobemidone
SMILES: O=C(C1(c2cc(OC(=O)C)ccc2)CCN(C)CC1)CC
InChIKey: UHZAKWBTNFQWFQ-UHFFFAOYSA-N
Synonyms: Acetoxyketobemidone, O-Acetylketobemidone, 9VD2KUA9ZF, 107419-07-8, UNII-9VD2KUA9ZF, 1-(4-(3-(Acetyloxy)phenyl)-1-methyl-4-piperidinyl)-1-propanone, 1-Propanone, 1-(4-(3-(acetyloxy)phenyl)-1-methyl-4-piperidinyl)-, 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-, acetate, 1-[4-(3-Acetoxyphenyl)-1-methyl-4-piperidinyl]-1-propanone, 3-(1-Methyl-4-propanoylpiperidin-4-yl)phenyl acetate, [3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl] acetate, SCHEMBL15737364, SCHEMBL31625422, DTXSID50632370
Theoretical properties:
molecular_formula: C17H23NO3
molecular_weight: 289.4 g/mol
exact_mass: 289.16779360 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 21
topological_polar_surface_area: 46.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Acetoxyketobemidone (O-Acetylketobemidone) is an opioid analgesic that is an acetylated derivative of ketobemidone. It was developed in the 1950s during research into analogues of pethidine and was assessed by the United Nations Office on Drugs and Crime but was not included on the list of drugs under international control, probably because it was not used in medicine or widely available. Nevertheless, acetoxyketobemidone is controlled as an ester of ketobemidone, which is included in Schedule I of the Single Convention on Narcotic Drugs of 1961.
Presumably acetoxyketobemidone produces similar effects to ketobemidone and other opioids, such as analgesia and sedation, along with side effects such as nausea, itching, vomiting and respiratory depression which may be harmful or fatal.
Compound: 64058-44-2
SMILES: O=C(C1(c2cc(O)ccc2)CCN(C)CC1)C
InChIKey: RNAGZQQIHXIDQH-UHFFFAOYSA-N
Synonyms: 64058-44-2, KETONE, 4-(m-HYDROXYPHENYL)-1-METHYLISONIPECOTINOYL METHYL, DTXSID80214224, RefChem:1054251, DTXCID80136715, 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)ethanone, METHYLKETOBEMIDONE, 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone, KETOBEMIDONE IMPURITY B, 2K855U2UGA, [4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl](methyl) ketone, BRN 0200192, 1-(4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl)ethanone, Methyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone, Ketobemidone impurity B CRS, UNII-2K855U2UGA, 4-21-00-06104 (Beilstein Handbook Reference), SCHEMBL15733769, 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]ethan-1-one, MFCD01716460, Ketobemidone Hydrochloride EP Impurity B, DB-215382, HY-168815, Q6824023, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidyl]ethanone, ETHANONE, 1-(4-(3-HYDROXYPHENYL)-1-METHYL-4-PIPERIDINYL)-
Theoretical properties:
molecular_formula: C14H19NO2
molecular_weight: 233.31 g/mol
exact_mass: 233.141578849 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Methylketobemidone is an opioid analgesic that is an analogue of ketobemidone. It was developed in the 1950s during research into analogues of pethidine and was assessed by the United Nations Office on Drugs and Crime but was not included on the list of drugs under international control, probably because it was not used in medicine or widely available. 
Methylketobemidone is so named because it is the methyl ketone analogue of bemidone (hydroxypethidine). The more commonly used ethyl ketone ("ethylketobemidone") is simply called ketobemidone, as it is the only drug of this family to have been marketed.
Presumably methylketobemidone produces similar effects to pethidine, such as analgesia and sedation, along with side effects such as nausea, itching, vomiting and respiratory depression which may be harmful or fatal.
Compound: Propylketobemidone
SMILES: O=C(C1(c2cc(O)ccc2)CCN(C)CC1)CCC
InChIKey: VQISXVAQCJSTNS-UHFFFAOYSA-N
Synonyms: Propylketobemidone, 9E28D6TQ65, 66924-19-4, 1-(4-(3-Hydroxy-phenyl)-1-methyl-(4)piperidyl)-butan-1-one, 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-butanone, 1-Butanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-, 1-Butanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)-, RefChem:176551, UNII-9E28D6TQ65, SCHEMBL15738407, DTXSID80903626, 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]butan-1-one
Theoretical properties:
molecular_formula: C16H23NO2
molecular_weight: 261.36 g/mol
exact_mass: 261.172878976 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 19
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Propylketobemidone is an opioid analgesic that is an analogue of ketobemidone. It was developed in the 1950s during research into analogues of pethidine and was assessed by the United Nations Office on Drugs and Crime but was not included on the list of drugs under international control, probably because it was not used in medicine or widely available. 
Propylketobemidone is so named because it is the propyl ketone analogue of bemidone (hydroxypethidine). The more commonly used ethyl ketone ("ethylketobemidone") is simply called ketobemidone, as it is the only drug of this family to have been marketed.
Presumably propylketobemidone produces similar effects to ketobemidone and other opioids, such as analgesia and sedation, along with side effects such as nausea, itching, vomiting and respiratory depression which may be harmful or fatal.
Compound: Lennoxamine
SMILES: O=C1N2C(Cc3cc4OCOc4cc3CC2)c5c1c(OC)c(OC)cc5
InChIKey: GIVXYHGHGFITPJ-UHFFFAOYSA-N
Synonyms: Lennoxamine, 95530-38-4, EKT38NF7FQ, DTXSID20448602, 5,6,12b,13-Tetrahydro-9,10-dimethoxy-8H-1,3-dioxolo(4,5-H)isoindolo(1,2-b)(3)benzazepin-8-one, 7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-10-one, 7,8-dimethoxy-17,19-dioxa-11-azapentacyclo(12.7.0.03,11.04,9.016,20)henicosa-1(21),4(9),5,7,14,16(20)-hexaen-10-one, RefChem:152744, DTXCID20399423, UNII-EKT38NF7FQ, 8H-1,3-Dioxolo(4,5-H)isoindolo(1,2-b)(3)benzazepin-8-one, 5,6,12b,13-tetrahydro-9,10-dimethoxy-, 8H-1,3-Dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepin-8-one, 5,6,12b,13-tetrahydro-9,10-dimethoxy-, orb2814863, SCHEMBL29579924, Q621936, 9,10-Dimethoxy-5,6,12b,13-tetrahydro-2H,8H-[1,3]dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepin-8-one
Theoretical properties:
molecular_formula: C20H19NO5
molecular_weight: 353.4 g/mol
exact_mass: 353.12632271 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 26
topological_polar_surface_area: 57.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Lennoxamine is an isoindolobenzazepine alkaloid, originally isolated from the Chilean barberry, Berberis darwinii. Lennoxamine has been synthesised from 6-bromopiperonal in 9 steps;; from 3-(3,4-methylenedioxybenzylidene)-6,7-dimsthoxyphthalide in 4 or 5 steps; and from 2,3-dimethoxybenzoic acid in 8 steps.
Compound: Allylprodine
SMILES: O=C(OC1(c2ccccc2)C(CN(C)CC1)CC=C)CC
InChIKey: KGYFOSCXVAXULR-UHFFFAOYSA-N
Synonyms: Allylprodine, Alperidine, 25384-17-2, Allilprodina, Allylprodinum, Aliprodina, Allilprodina [DCIT], alilprodina, Ro 2-7113, Aliprodina [INN-Spanish], Allylprodinum [INN-Latin], NIH 7440, UNII-4343OEZ18O, Allylprodine [INN:BAN:DCF], DEA No. 9602, 4-Piperidinol, 1-methyl-4-phenyl-3-(2-propenyl)-, propanoate (ester), ACSCN-9602, IDS-NA-007, 1-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate, 4-Piperidinol, 3-allyl-1-methyl-4-phenyl-, propionate (ester), DTXSID80865210, 4343OEZ18O, NIH-7440, 3-Allyl-1-methyl-4-phenyl-4-propionyloxypiperidine, Allylprodine (INN), alpha-3-Allyl-1-methyl-4-phenyl-4-propionoxypiperidine, Propionic acid, 3-allyl-1-methyl-4-phenyl-4-piperidyl ester, Aliprodina (INN-Spanish), ALLYLPRODINE [INN], Allylprodinum (INN-Latin), .alpha.-3-Allyl-1-methyl-4-phenyl-4-propionoxypiperidine, 1-Methyl-4-phenyl-3-(2-propenyl)-4-piperidinol propanoate, RefChem:110915, ALLYLPRODINE [MI], DTXCID60220868, KGYFOSCXVAXULR-UHFFFAOYSA-N, SCHEMBL24416, CHEMBL2103995, AKOS015842723, DB01542, D12662, Q4062649, 3-Allyl-1-methyl-4-phenyl-4-piperidinyl propionate #
Theoretical properties:
molecular_formula: C18H25NO2
molecular_weight: 287.4 g/mol
exact_mass: 287.188529040 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 21
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: ALLYLPRODINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Allylprodine is an opioid analgesic that is an analog of prodine. It was discovered by Hoffman-La Roche in 1957 during research into the related drug pethidine. Derivatives were tested to prove the theory that phenolic and non-phenolic opioids bind at different sites of the opiate receptor.
Allylprodine is more potent as an analgesic than similar drugs such as α-prodine, and the 3R,4S-isomer is 23 times more potent than morphine, due to the allyl group binding to an additional amino acid target in the binding site on the μ-opioid receptor. It is also stereoselective, with one isomer being much more active.  
When modeled in three dimensions, the alkene overlays the alkenes found in 14-cinnamoyloxycodeinone and in 14-allyloxycodeinone, re-enforcing the presence of an interaction of the alkene.
Allylprodine produces similar effects to other opioids, such as analgesia and sedation, along with side effects such as nausea, itching, vomiting and respiratory depression which may be harmful or fatal.
Compound: gamma-Promedol
SMILES: O=C(O[C@]1(c2ccccc2)[C@@H](CN(C)[C@H](C1)C)C)CC
InChIKey: UVITTYOJFDLOGI-KEYYUXOJSA-N
Synonyms: gamma-Promedol, Trimeperidine, 1M2IB31DTS, Isopromedol-, 1,2,5-Trimethyl-4-phenyl-4-propionyloxypiperidine, Trimeperidin, Trimeperidina, Trimeperidinum, IDS-NT-004, 4-Piperidinol, 1,2,5-trimethyl-4-phenyl-, propanoate (ester), (2alpha,4beta,5beta)-, DTXSID501018271, RefChem:933441, DTXCID301476495, promedolum (for the hydrochloride), 200-583-3, Trimeperidine [INN], Trimeperidine [WHO-DD], gamma-Promedol [MI], UNII-1M2IB31DTS, 29606-10-8, EINECS 200-583-3, Trimeperidine [INN:WHO-DD], DEA No. 9646, .gamma.-promedol, [(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate, PROMEDOL [MI], SCHEMBL25235, AKOS040749676, 4-PIPERIDINOL, 1,2,5-TRIMETHYL-4-PHENYL-, PROPANOATE (ESTER), (2.ALPHA.,4.BETA.,5.BETA.)-
Theoretical properties:
molecular_formula: C17H25NO2
molecular_weight: 275.4 g/mol
exact_mass: 275.188529040 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 20
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: This is a list of opioids, opioid antagonists and inverse agonists.
Compound: D-Arabinitol
SMILES: OC([C@H](O)CO)[C@H](O)CO
InChIKey: HEBKCHPVOIAQTA-QWWZWVQMSA-N
Synonyms: D-Arabinitol, 488-82-4, D-Arabitol, D-(+)-Arabitol, D-Lyxitol, (2R,4R)-pentane-1,2,3,4,5-pentol, D-Arabinol, Arabinitol, D-, BOA443XF1X, DTXSID4045979, DTXCID2025979, CHEBI:18333, NSC-25288, arabitol, (D)-, RefChem:559045, GlyTouCan:G07663YB, G07663YB, 207-686-2, DL-Arabitol, arabitol, D-(+)-Arabinitol, arabinitol, 2152-56-9, 6018-27-5, DL-Arabinitol, Lyxitol, (2R,4R)-pentane-1,2,3,4,5-pentaol, D-lyxo-Pentitol, MFCD00004709, YFV05Y57M9, C5H12O5, SR-01000633502, D-ARABINO-PENTITOL, UNII-BOA443XF1X, arabino-pentitol, NCGC00095537-01, EINECS 207-686-2, MFCD00070503, NSC 25288, ARABITE, D(+)-Arabit, (2R,4R)-Arabitol, ARABITOL [MI], (+)-ARABITOL, UNII-YFV05Y57M9, Oprea1_838482, SCHEMBL22830, (+/-)-ARABITOL, MLS006011682, ARABITOL D-FORM [MI], orb1301939, CHEMBL3186162, D-(+)-Arabitol, >=99%, MSK3103, EINECS 218-440-9, Tox21_111507, CCG-43596, GEO-00237, s6114, AKOS015907540, EBC-616185, MA05805, MA07031, NCGC00348363-01, AS-11643, CAS-488-82-4, SMR001817506, SY061695, A0516, A0517, NS00080336, NS00083844, A-8270, C01904, D88272, Q1880471, SR-01000633502-1, SR-01000633502-2, SR-01000633502-3, 71178E4D-023F-48C4-8185-E944E5E3FA19, 2077894-89-2
Theoretical properties:
molecular_formula: C5H12O5
molecular_weight: 152.15 g/mol
exact_mass: 152.06847348 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 10
topological_polar_surface_area: 101 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 101 - 104 °C
solubility: 729 mg/mL
Descriptions:
pubchem: D-arabinitol is the D-enantiomer of arabinitol. It is an enantiomer of a L-arabinitol.
chebi: The <small>D</small>-enantiomer of arabinitol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: In enzymology, a D-arabinitol 2-dehydrogenase (EC 1.1.1.250) is an enzyme that catalyzes the chemical reaction

D-arabinitol + NAD+ ⇌ D-ribulose + NADH + H+
Thus, the two substrates of this enzyme are D-arabinitol and NAD+, whereas its 3 products are D-ribulose, NADH, and H+.
This enzyme belongs to the family of oxidoreductases, specifically those acting on the CH-OH group of donor with NAD+ or NADP+ as acceptor. The systematic name of this enzyme class is D-arabinitol:NAD+ 2-oxidoreductase (D-ribulose-forming). This enzyme is also called D-arabinitol 2-dehydrogenase (ribulose-forming).
Compound: 1,4-Dioxin
SMILES: O1C=COC=C1
InChIKey: KVGZZAHHUNAVKZ-UHFFFAOYSA-N
Synonyms: 1,4-Dioxin, p-Dioxin, 290-67-5, ZD32358XMG, DTXSID10183191, RefChem:73339, DTXCID20105682, 1,4-dioxine, 1,4-dioxame, SCHEMBL8938, UNII-ZD32358XMG, SCHEMBL23645, 1,4-dioxacyclohexa-2,5-diene, CHEBI:134044, KVGZZAHHUNAVKZ-UHFFFAOYSA-N, NS00123000, Q161534
Theoretical properties:
molecular_formula: C4H4O2
molecular_weight: 84.07 g/mol
exact_mass: 84.021129366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 6
topological_polar_surface_area: 18.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1,4-dioxine is an oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic.
chebi: An oxacycle that is 4<em>H</em>-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic.
wikipedia: 1,4-Dioxin (also referred as dioxin or p-dioxin) is a heterocyclic, organic, non-aromatic compound with the chemical formula C4H4O2. There is an isomeric form of 1,4-dioxin, 1,2-dioxin (or o-dioxin). 1,2-Dioxin is very unstable due to its peroxide-like characteristics.
The term "dioxin" is most commonly used for a family of derivatives of 1,4-dioxin, known as polychlorinated dibenzodioxins (PCDDs).