JAZL/ChemGist-CHON huggingface dataset:
Compound: MEPHENOXALONE
SMILES: O=C1OC(COc2c(OC)cccc2)CN1
InChIKey: ZMNSRFNUONFLSP-UHFFFAOYSA-N
Synonyms: MEPHENOXALONE, 70-07-5, Dorsiflex, Metoxadone, Methoxadone, Mefenoxalona, Mefenoxalone, Lenetran, Methoxydone, Mephenoxalonum, 5-(o-Methoxyphenoxymethyl)-2-oxazolidinone, 5-[(2-Methoxyphenoxy)methyl]-1,3-oxazolidin-2-one, OM-518, CZ87T54W8W, DTXSID9023255, AHR-233, 5-((o-Methylphenoxy)methyl)-2-oxazolidinone, DTXCID203255, 5-((2-methoxyphenoxy)methyl)-1,3-oxazolidin-2-one, RefChem:810991, N05BX01, 200-723-3, Moderamin, Trepidone, Xerene, 5-((2-Methoxyphenoxy)methyl)oxazolidin-2-one, Lenetranat, Ekilan, Riself, Dorsilon, Transpoise, Valanas, Lenetran TAB, Control-OM, Alkapol peg-400, AHR 233, 5-(o-Methoxyphenoxymethyl)-2-oxazolidone, CL 27,319, Methoxydon, 5-[(2-Methoxyphenoxy)methyl]-2-oxazolidinone, 2-Oxazolidinone, 5-[(2-methoxyphenoxy)methyl]-, Mephenoxalone (INN), NCGC00182072-02, 5-[(2-methoxyphenoxy)methyl]oxazolidin-2-one, Methoxydon(E), MEPHENOXALONE [INN], 2-Oxazolidinone, 5-((o-methoxyphenoxy)methyl)-, Metoxadon, Tranpoise, Mephenoxalone [INN:DCF], CAS-70-07-5, Mefenoxalona [INN-Spanish], Mephenoxalonum [INN-Latin], 2-Oxazolidinone, 5-[(o-methoxyphenoxy)methyl]-, EINECS 200-723-3, OM 518, 5-((2-METHOXYPHENOXY)METHYL)-2-OXAZOLIDINONE, BRN 0530698, UNII-CZ87T54W8W, Valans, Dorsiflex (TN), Mephenoxalone (Standard), MEPHENOXALONE [MI], SCHEMBL5392, 5-[(2-Methoxyphenoxy)-methyl]-2-oxazolidinone, MEPHENOXALONE TREPIDONE, MEPHENOXALONE [MART.], MEPHENOXALONE [WHO-DD], CHEMBL2104790, SCHEMBL27578744, CHEBI:134916, Tox21_113149, AKOS016010058, Tox21_113149_1, DB13754, FM25063, HY-126112R, NCGC00182072-03, DA-65344, HY-126112, 5-[(o-Methoxyphenoxy)methyl]-2-oxazolidone, CS-0090565, NS00017273, 5-[(o-Methoxyphenoxy)Methyl]-2-oxazolidinone, D07318, Q719694, 5-[(2-methoxyphenoxy) methyl]-1,3-oxazolidin-2-one, 5-[(2-Methoxyphenoxy)methyl]-1,3-oxazolidin-2-one #, 5-({[2-(methyloxy)phenyl]oxy}methyl)-1,3-oxazolidin-2-one, 5-[(2-Methoxyphenoxy)methyl]-1,3-oxazolidin-2-one, AldrichCPR
Theoretical properties:
molecular_formula: C11H13NO4
molecular_weight: 223.22 g/mol
exact_mass: 223.08445790 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 16
topological_polar_surface_area: 56.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Mephenoxalone is a member of methoxybenzenes.
chembl: MEPHENOXALONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Mephenoxalone (trade names Dorsiflex, Moderamin, Control-OM) is a muscle relaxant and mild anxiolytic. It inhibits neuron transmission, relaxing skeletal muscles by inhibiting the reflex arc. As the effect of muscle relaxation, mephenoxalone affects mental condition, and is also a treatment for nervousness and anxiety.
Compound: ACIPIMOX
SMILES: O=C(O)c1ncc(C)[n+](c1)[O-]
InChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-N
Synonyms: ACIPIMOX, 51037-30-0, Olbetam, Olbemox, 5-methylpyrazine-2-carboxylic acid 4-oxide, 5-Methylpyrazinecarboxylic acid 4-oxide, 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid, DTXSID2046202, NSC-759818, K9AY9IR2SD, DTXCID0026202, 5-CARBOXY-2-METHYLPYRAZIN-1-IUM-1-OLATE, Acipimoxum, RefChem:552678, C10AD06, 256-928-3, 5-Carboxy-2-methylpyrazine 1-oxide, 2-CARBOXY-5-METHYLPYRAZINE 4-OXIDE, K-9321, MFCD00865757, CHEMBL345714, NCGC00160519-01, CAS-51037-30-0, SR-05000001505, Acipimox (Standard), Acipimox (INN/BAN), ACIPIMOX [INN], ACIPIMOX [MI], Pyrazinecarboxylic acid, 5-methyl-, 4-oxide, ACIPIMOX [MART.], ACIPIMOX [WHO-DD], SCHEMBL48922, Acipimox - Bio-X trade mark, GTPL1596, SCHEMBL29370131, CHEBI:94688, HY-B0283R, HMS2090G05, HMS3655A14, HMS3713L18, HMS5080K09, Pharmakon1600-01504831, 5-Carboxy-2-methylpyrazine1-oxide, HY-B0283, MSK10616, WZB81628, Tox21_111868, Tox21_112498, Tox21_112805, AC-009, BBL009924, BDBM50208130, EBC-11165, NSC759818, s1806, STK711089, 2-carboxy-5-methyl-pyrazine-4-oxide, AKOS005530658, CCG-213957, DB09055, FM10331, MB01535, NCGC00160519-02, NCGC00160519-03, AS-15565, BA166874, SY106218, 5-Methyl-4-oxy-pyrazine-2-carboxylic acid, M2053, NS00057064, SW199084-2, D07190, EN300-151913, 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylic acid, 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylicacid, AB01274727-01, AB01274727-02, AB01274727_03, AB01274727_04, 5-METHYLPYRAZINE-2-CARBOXYLIC ACID-4-OXIDE, Q2342544, SR-05000001505-1, SR-05000001505-2, BRD-K63736853-001-01-4, BRD-K63736853-001-03-0, BRD-K63736853-001-04-8, 6-Methyl-1-oxo-1lambda~5~-pyrazine-3-carboxylic acid, Z1198155438
Theoretical properties:
molecular_formula: C6H6N2O3
molecular_weight: 154.12 g/mol
exact_mass: 154.03784206 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 75.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylic acid is a pyrazinecarboxylic acid.
chembl: ACIPIMOX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Acipimox (trade name Olbetam in Europe) is a niacin derivative used as a lipid-lowering agent. It reduces triglyceride levels and increases HDL cholesterol.
It may have less marked adverse effects than niacin, although it is unclear whether the recommended dose is as effective as standard doses of niacin.
Compound: NICOFURANOSE
SMILES: O=C(O[C@@H]1[C@@](O[C@@H]([C@H]1OC(=O)c2cnccc2)COC(=O)c3cnccc3)(O)COC(=O)c4cnccc4)c5cnccc5
InChIKey: FUWFSXZKBMCSKF-ZASNTINBSA-N
Synonyms: NICOFURANOSE, 15351-13-0, Bradilan, Nicofuranosa, Nicofuranoso, Nicofuranosum, Tetranicotinoylfructose, ES 304, ES-304, DTXSID6023365, D-Fructofuranose 1,3,4,6-tetranicotinate, GF99P6327K, DTXCID703365, [(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-carboxylate, nicofurazone, ((2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl)methyl pyridine-3-carboxylate, RefChem:854092, C10AD03, 1,3,4,6-tetranicotinoyl fructose, 1,3,4,6-tetranicotinoyl fructofuranose, 239-385-7, Vasperdil, 12041-87-1, Nicofuranose (INN), NICOFURANOSE [INN], Tetranicotylfructose, Nicofuranoso [DCIT], 1,3,4,6-Tetra-O-nicotinoyl-D-fructofuranose, Tetranicotylfructofuranose, Nicofuranosum [INN-Latin], Nicofuranosa [INN-Spanish], Fructofuranose, tetranicotinate, Nicofuranose [INN:BAN:DCF], EINECS 239-385-7, D-Fructofuranose 1,3,4,6-tetranicotinat, UNII-GF99P6327K, NCGC00159394-02, GlyTouCan:G93256JM, NICOFURANOSE [MI], NICOFURANOSE [MART.], MLS006010652, NICOFURANOSE [WHO-DD], SCHEMBL406596, CHEMBL1697844, SCHEMBL29394276, CHEBI:135846, FUWFSXZKBMCSKF-ZASNTINBSA-N, G93256JM, Tox21_111631, AKOS025392170, DB13422, KS-1425, SMR004701648, XN176250, CAS-15351-13-0, NS00004059, D07189, SR-01000944867, Q3295509, SR-01000944867-1, 1,3,4,6-Tetra-O-(pyridine-3-carbonyl)-beta-D-fructofuranose, 1,3,4,6-tetrakis-O-(pyridin-3-ylcarbonyl)-beta-D-fructofuranose
Theoretical properties:
molecular_formula: C30H24N4O10
molecular_weight: 600.5 g/mol
exact_mass: 600.14924298 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 14
rotatable_bond_count: 14
heavy_atom_count: 44
topological_polar_surface_area: 186 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Nicofuranose is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
chembl: NICOFURANOSE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Nicofuranose is a niacin derivative used as a hypolipidemic agent.
Compound: niceritrol
SMILES: O=C(OCC(COC(=O)c1cnccc1)(COC(=O)c2cnccc2)COC(=O)c3cnccc3)c4cnccc4
InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N
Synonyms: niceritrol, 5868-05-3, Perycit, Pentaerythritoltetranicotinate, Pentaerythritol tetranicotinate, Pentaerithritol tetranicotinate, Niceritrolum, DTXSID1023364, F54EHJ34MV, 3-Pyridinecarboxylic acid, 2,2-bis(((3-pyridinylcarbonyl)oxy)methyl)-1,3-propanediyl ester, DTXCID303364, niceritrolo, Tetrahydrochloride, Niceritrol, Tetranicotinate, Pentaerythritol, RefChem:389147, C10AD01, 227-519-7, 3-(pyridine-3-carbonyloxy)-2,2-bis((pyridine-3-carbonyloxy)methyl)propyl pyridine-3-carboxylate, Bufor;Perycit;8-AL, Bufor, MFCD00215982, [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate, NCGC00185747-01, Cardiolipol, CAS-5868-05-3, SK 1 (Pharmaceutical), Niceritrolum [INN-Latin], Niceritrol [INN:BAN:DCF:JAN], KUEUWHJGRZKESU-UHFFFAOYSA-N, C29H24N4O8, EINECS 227-519-7, Perycit (TN), BRN 0377170, NICERITROL [MI], NICERITROL [INN], NICERITROL [JAN], NICOTINIC ACID, NEOPENTANETETRAYL ESTER, Niceritrol (JP18/INN), UNII-F54EHJ34MV, NICERITROL [MART.], NICERITROL [WHO-DD], SCHEMBL28053, orb1306837, CHEMBL1697762, CHEBI:31903, Tox21_113126, AKOS040744450, Tox21_113126_1, DB13441, NCGC00185747-02, TS-08083, HY-118676, CS-0067746, N0974, NS00046710, D01754, G78086, 4-22-00-00376 (Beilstein Handbook Reference), Q824174, BRD-K11256763-001-01-5, 2,2-Bis{[(pyridine-3-carbonyl)oxy]methyl}propane-1,3-diyl dipyridine-3-carboxylate
Theoretical properties:
molecular_formula: C29H24N4O8
molecular_weight: 556.5 g/mol
exact_mass: 556.15941374 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 16
heavy_atom_count: 41
topological_polar_surface_area: 157 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Niceritrol is an organic molecular entity.
chembl: NICERITROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Niceritrol is a niacin derivative used as a hypolipidemic agent. It is an ester of pentaerythritol and nicotinic acid, has general properties similar to those of nicotinic acid (Nicotinamide), to which it is slowly hydrolysed. Niceritrol has been used as a lipid regulating drug in hyperlipidaemias and as a vasodilator in the treatment of peripheral vascular disease.
Compound: Ibopamine
SMILES: O=C(Oc1c(OC(=O)C(C)C)ccc(c1)CCNC)C(C)C
InChIKey: WDKXLLJDNUBYCY-UHFFFAOYSA-N
Synonyms: Ibopamine, 66195-31-1, Ibopaminum, Ibopamina, SB 7505, SB-7505, 8ZCA2I2L11, [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate, DTXSID3023138, Propanoic acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene ester, N-methyldopamine diisobutyrate, (4-(2-(methylamino)ethyl)-2-(2-methylpropanoyloxy)phenyl) 2-methylpropanoate, 5-(2-(methylamino)ethyl)-2-((2-methylpropanoyl)oxy)phenyl 2-methylpropanoate, 5-[2-(methylamino)ethyl]-2-[(2-methylpropanoyl)oxy]phenyl 2-methylpropanoate, RefChem:789639, DTXCID603138, C01CA16, S01FB03, 266-229-5, 4-(2-(Methylamino)ethyl)-o-phenylene diisobutyrate, 4-(2-(methylamino)ethyl)-1,2-phenylene bis(2-methylpropanoate), Ibopamino [INN-Spanish], 4-[2-(methylamino)ethyl]-o-phenylene diisobutyrate, SB 7505; SB 7505 (pharmaceutical); SKF 100168, Ibopamino, Ibopaminum [INN-Latin], EINECS 266-229-5, SKF 100168, UNII-8ZCA2I2L11, Escandine, Ibopamine [USAN:INN:BAN], Trazyl, 4-[2-(Methylamino)ethyl]-1,2-phenylene bis(2-methylpropanoate), 4-(2-(Methylamino)ethyl)-2-phenylendiisobutyrat, IBOPAMINE [INN], IBOPAMINE [MI], Ibopamine (USAN/INN), IBOPAMINE [USAN], IBOPAMINE [MART.], IBOPAMINE [WHO-DD], SCHEMBL147258, CHEMBL307739, CHEBI:135306, WDKXLLJDNUBYCY-UHFFFAOYSA-N, DB13316, DB-190085, NS00008880, D04488, L013392, Q5984366, 4-[2-(methylamino)ethyl]benzene-1,2-diyl bis(2-methylpropanoate)
Theoretical properties:
molecular_formula: C17H25NO4
molecular_weight: 307.4 g/mol
exact_mass: 307.17835828 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 9
heavy_atom_count: 22
topological_polar_surface_area: 64.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ibopamine is a member of phenols and a benzoate ester.
chembl: IBOPAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Ibopamine is a sympathomimetic drug, designed as a prodrug of epinine (deoxyepinephrine or N-methyldopamine), used in ophthalmology. It induces mydriasis. It also has been investigated for use in the treatment of congestive heart failure.
It acts on D1 and  α-adrenergic receptors as an agonist.
Ibopamine was first prepared by Casagrande and co-workers.
Instilled at 2% concentration, ibopamine exhibits several functions at ocular level such as pre- and post-operative mydriatic activity, D1 dopaminergic activity, etc.
Compound: Moxaverine
SMILES: O(c1c(OC)cc2cc(CC)nc(c2c1)Cc3ccccc3)C
InChIKey: MYCMTMIGRXJNSO-UHFFFAOYSA-N
Synonyms: Moxaverine, 1-Benzyl-3-ethyl-6,7-dimethoxyisoquinoline, 10539-19-2, Moxaverina, Moxaverinum, P3P08Y1XJ4, DTXSID6057613, DTXCID7031402, RefChem:159847, A03AD30, 234-117-5, Eupaverin, 3-Ethyl-1-benzyl-6,7-dimethoxyisoquinoline, Isoquinoline,3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-, Isoquinoline, 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-, Moxaverine (INN), MOXAVERINE [INN], Moxaverine [INN:BAN], Moxaverinum [INN-Latin], Moxaverina [INN-Spanish], UNII-P3P08Y1XJ4, EINECS 234-117-5, Kollateral (Salt/Mix), MOXAVERINE [MI], Isoquinoline, 1-benzyl-3-ethyl-6,7-dimethoxy, MOXAVERINE [WHO-DD], SCHEMBL26554, 3-Ethyl-6,7-dimethoxy-1-(phenylmethyl)isoquinoline, CHEMBL2105060, SCHEMBL31026921, CHEBI:135307, Moxaverine hydrochloride (Salt/Mix), Tox21_113958, SBB042428, STL301637, AKOS000270782, DB12251, NCGC00262967-01, 3-ethyl-6,7-dimethoxy-1-benzylisoquinoline, CAS-10539-19-2, NS00003727, D07089, Isoquinoline, 1-benyl-3-ethyl-6,7-dimethoxy-, Q425881, BRD-K12742203-003-01-7
Theoretical properties:
molecular_formula: C20H21NO2
molecular_weight: 307.4 g/mol
exact_mass: 307.157228913 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 23
topological_polar_surface_area: 31.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Moxaverine is a member of isoquinolines.
chembl: MOXAVERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Moxaverine has been used in therapy based on the direct vasodilatory effect of the drug, a phosphodiesterase inhibitor, and on its influence on the rheological properties of red blood cells.
Moxaverine hydrochloride (Kollateral forte®, Ursapharm. Saarbrücken, Germany) has been shown to increase ocular blood flow in patients with age-related macular degeneration, primary open angle glaucoma, and to increase choroidal and retrobulbar blood flow in elderly patients with eye diseases associated with hypo-perfusion. The ocular efficacy of moxaverine has been explored in the clinic.
SMILES: O(c1c(OCC)cc2CCN\C(\c2c1)=C/c3cc(OCC)c(OCC)cc3)CC
InChIKey: OMFNSKIUKYOYRG-MOSHPQCFSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: DROTAVERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
Compound: Terodiline
SMILES: N(C(C)(C)C)C(CC(c1ccccc1)c2ccccc2)C
InChIKey: UISARWKNNNHPGI-UHFFFAOYSA-N
Synonyms: Terodiline, 15793-40-5, Terodilina, Terodilinum, N-tert-Butyl-1-methyl-3,3-diphenylpropylamine, 70KG06964W, DTXSID60860001, tert-butyl(4,4-diphenylbutan-2-yl)amine, RefChem:188013, N-tert-butyl-3,3-diphenyl-1-methylpropylamine, DTXCID30197331, G04BD05, N-tert-butyl-4,4-diphenylbutan-2-amine, N-(tert-Butyl)-4,4-diphenylbutan-2-amine, Propylamine, N-tert-butyl-1-methyl-3,3-diphenyl-, Benzenepropanamine, N-(1,1-dimethylethyl)-.alpha.-methyl-.gamma.-phenyl-, NCGC00183030-01, Terodilinum [INN-Latin], Terodilina [INN-Spanish], Terodiline [INN:BAN:JAN], TERODILINE [MI], TERODILINE [INN], TERODILINE [WHO-DD], SCHEMBL78908, CHEMBL363295, orb1689489, UNII-70KG06964W, CHEBI:135168, UISARWKNNNHPGI-UHFFFAOYSA-N, BDBM50151868, Benzenepropanamine, N-(1,1-dimethylethyl)-alpha-methyl-gamma-phenyl-, DB13725, NCGC00183030-02, HY-16489, CS-0006361, NS00100981, N-(tert-Butyl)-4,4-diphenyl-2-butanamine #, tert-Butyl-(1-methyl-3,3-diphenyl-propyl)-amine, Q7702989, BRD-A33479817-003-03-7, (+/-)-N-TERT-BUTYL-1-METHYL-3,3-DIPHENYLPROPYLAMINE
Theoretical properties:
molecular_formula: C20H27N
molecular_weight: 281.4 g/mol
exact_mass: 281.214349865 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 6
heavy_atom_count: 21
topological_polar_surface_area: 12 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Terodiline is a diarylmethane.
chembl: TERODILINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Terodiline is a drug used in urology as an antispasmodic.
It relaxes the smooth muscle and used to reduce bladder tone in treatment of urinary frequency and incontinence. Muscle relaxation caused by terodiline, is probably due to its anticholinergic and calcium antagonist activity.
However, it also blocks Kv11.1 ion channels and consequently can pose a risk for torsades de pointes. This cardiotoxicity is concentration dependent.
Compound: Propiverine
SMILES: O=C(OC1CCN(C)CC1)C(OCCC)(c2ccccc2)c3ccccc3
InChIKey: QPCVHQBVMYCJOM-UHFFFAOYSA-N
Synonyms: Propiverine, 60569-19-9, 1-Methylpiperidin-4-yl 2,2-diphenyl-2-propoxyacetate, Propiverinum, Propiverina, Mictonetten, 468GE2241L, DTXSID5048265, propiverin, Detrunorm xl, RefChem:176442, DTXCID0028240, G04BD06, alpha-diphenyl alpha-n-propoxyacetic acid-4(1-methylpiperidyl)ester, (1-methyl-4-piperidyl) 2,2-diphenyl-2-propoxy-acetate, Propiverine [INN], (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate, 1-Methyl-4-piperidyl diphenylpropoxyacetate, Propiverine (INN), Propiverino, Propiverinum [INN-Latin], Propiverino [INN-Spanish], NCGC00181103-01, Propiverine [INN:BAN], 1-Methyl-4-piperidyl O-propylbenzilate, UNII-468GE2241L, 1-methylpiperidin-4-yl diphenyl(propoxy)acetate, 1-Methyl-4-piperidyl 2,2-diphenyl-2-propoxyacetate, 1-Methyl-4-piperidinyl alpha-phenyl-alpha-propoxybenzeneacetate, PROPIVERINE [MI], SCHEMBL94695, PROPIVERINE [WHO-DD], CHEBI:8493, orb1688597, CHEMBL1078261, EBC-26812, AKOS016012153, Benzeneacetic acid, alpha-phenyl-alpha-propoxy-, 1-methyl-4-piperidinyl ester, DB12278, Benzeneacetic acid, a-phenyl-a-propoxy-, 1-methyl-4-piperidinylester, hydrochloride (1:1), DB-053655, HY-116408, CS-0065396, NS00002772, C07852, D08441, 1-Methyl-4-piperidinyl diphenyl(propoxy)acetate #, EN300-25916822, Q904321, BRD-K91244729-003-01-3, Diphenyl-propoxyessigsaeure-1-methylpiperidin-4-ylester, Diphenylpropoxyacetic acid, 1-methylpiperidin-4-yl ester
Theoretical properties:
molecular_formula: C23H29NO3
molecular_weight: 367.5 g/mol
exact_mass: 367.21474379 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 27
topological_polar_surface_area: 38.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 224-226
solubility: 5mg/mL
Descriptions:
pubchem: Propiverine is a diarylmethane.
chembl: PROPIVERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Propiverine is an anticholinergic drug used for the treatment of urinary urgency, frequency and urge incontinence, all symptoms of overactive bladder syndrome. It is a muscarinic antagonist.
Compound: Meladrazine
SMILES: n1c(nc(N(CC)CC)[nH]c1N(CC)CC)=NN
InChIKey: IRQOBYXMACIFKD-UHFFFAOYSA-N
Synonyms: Meladrazine, 13957-36-3, Hydramitrazine, Lisidonil, Meladrazina, Meladrazinum, NSC-99857, 2V6Z0JG2X0, BA 13155 FREE BASE, BA-13155 FREE BASE, DTXSID20161107, N2,N2,N4,N4-tetraethyl-6-hydrazinylidene-3,6-dihydro-1,3,5-triazine-2,4-diamine, RefChem:810853, DTXCID5083598, G04BD03, 2,4-bis(diethylamino)-6-hydrazino-1,3,5-triazine tartrate, 237-736-9, CIBA 13155, N2,N2,N4,N4-Tetraethyl-6-hydrazono-3,6-dihydro-1,3,5-triazine-2,4-diamine, 2-N,2-N,4-N,4-N-tetraethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine, 2,4-Bis(diethylamino)-6-hydrazino-s-triazine, Meladrazine [INN:BAN], Meladrazinum [INN-Latin], Meladrazina [INN-Spanish], UNII-2V6Z0JG2X0, EINECS 237-736-9, MFCD00867684, NSC 99857, Meladrazine (INN/BAN), MELADRAZINE [INN], HYDRAMITRAZINE [MI], NCIOpen2_007183, s-Triazine, 2,4-bis(diethylamino)-6-hydrazino-, SCHEMBL25913, SCHEMBL25914, MELADRAZINE [WHO-DD], 2-Hydrazino-4,6-bis(diethylamino)-1,3,5-triazine, 2-Hydrazino-4,3,5-triazine, CHEMBL2105242, SCHEMBL30067645, CHEBI:135034, IRQOBYXMACIFKD-UHFFFAOYSA-N, 1,3,5-Triazin-2(1H)-one, 4,6-bis(diethylamino)-, hydrazone, NAA95736, NSC99857, BA 13155 [AS TARTRATE], AKOS017548001, DB13272, EBC-332105, SB73712, (E)-N2,N2,N4,N4-tetraethyl-6-hydrazono-1,6-dihydro-1,3,5-triazine-2,4-diamine, NS00024510, s-Triazine,4-bis(diethylamino)-6-hydrazino-, D07225, EN300-253512, G85856, Q6810940, Z2724335592, 1,5-Triazin-2(1H)-one, 4,6-bis(diethylamino)-, hydrazone, n2,n2,n4,n4-tetraethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine, N~2~,N~2~,N~4~,N~4~-Tetraethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
Theoretical properties:
molecular_formula: C11H23N7
molecular_weight: 253.35 g/mol
exact_mass: 253.20149376 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 7
heavy_atom_count: 18
topological_polar_surface_area: 83.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Meladrazine is a diamino-1,3,5-triazine.
chembl: MELADRAZINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Meladrazine is a drug used in urology as an antispasmodic.
Compound: Ethybenztropine
SMILES: O([C@@H]1C[C@H]2N(CC)[C@@H](C1)CC2)C(c3ccccc3)c4ccccc4
InChIKey: PHTMLLGDZBZXMW-AERCQKQUSA-N
Synonyms: Ethybenztropine, Etybenzatropine, 524-83-4, Etibenzatropina, Panolid, UK-738, Ethybenztropine [USAN], Etybenzatropine [INN], G1X2X9N95N, (1S,5R)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane, Etybenzatropine (INN), 3alpha-(Diphenylmethoxy)-8-ethyl-1alphaH,5alphaH-nortropane, Ethybenztropine (USAN), Ethylbenatropine, Ethylbenztropine, 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-ethyl-, endo-, Etybenztropinum, Etybenzatropinum, Ponalid;UK 738, Etibenzatropina [DCIT], UNII-G1X2X9N95N, Etybenzatropin, Etybenzatropinum [INN-Latin], N-Ethylnortropine benzhydryl ether, Panolid (TN), 3-(Diphenylmethoxy)-8-ethylnortropane, ETHYBENZTROPINE [MI], SCHEMBL250681, 3-Benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane, orb1700628, ETYBENZATROPINE [MART.], CHEMBL2104273, ETYBENZATROPINE [WHO-DD], SCHEMBL29690837, DTXSID50905096, CHEBI:135972, 3-alpha-(Diphenylmethoxy)-8-ethyl-1-alpha-H,5-alpha-H-nortropane, AKOS040748337, DB13468, DA-53025, Nortropane, 3-(diphenylmethoxy)-8-ethyl-, HY-118406, CS-0065837, D04087, (1R,5S)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane, (1R,3r,5S)-3-(Diphenylmethoxy)-8-ethyl-8-azabicyclo[3.2.1]octane
Theoretical properties:
molecular_formula: C22H27NO
molecular_weight: 321.5 g/mol
exact_mass: 321.209264485 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 24
topological_polar_surface_area: 12.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Etybenzatropine is a diarylmethane.
chembl: ETHYBENZTROPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Lean or purple drank (known by numerous local and street names) is a polysubstance drink used as a recreational drug. It is prepared by mixing prescription-grade cough or cold syrup containing an opioid drug and an antihistamine drug with a soft drink and sometimes hard candy. The beverage originated in Houston as early as the 1960s and is popular in hip hop culture, especially within the Southern United States. Codeine/promethazine syrup is usually used to make lean, but other syrups are also used.
Users of lean are at risk of addiction, and serious complications include respiratory depression, respiratory arrest, and cardiac arrest. Lean is especially dangerous when consumed with alcohol.