JAZL/ChemGist-CHON huggingface dataset:
Compound: (8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES: O=C1C=C2C(C3C(C4C(C(C(O)C)CC4)(C)CC3)CC2)CC1
InChIKey: CNOGNHFPIBORED-UHFFFAOYSA-N
Synonyms: (8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one, 3643-00-3
Theoretical properties:
molecular_formula: C20H30O2
molecular_weight: 302.5 g/mol
exact_mass: 302.224580195 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
SMILES: O=C1C=C2C(C3C(C4C(C(C(OC(=O)CCc5ccccc5)C)CC4)(C)CC3)CC2)CC1
InChIKey: LHPBUFXEIOLURH-UHFFFAOYSA-N
Theoretical properties:
molecular_formula: C29H38O3
molecular_weight: 434.6 g/mol
exact_mass: 434.28209507 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 32
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
SMILES: O=C1C=C2C=CC3C4C(C(O)(C(=O)C)CC4)(C)CCC3C2CC1
InChIKey: GDTZPEHTYWXYAR-UHFFFAOYSA-N
Theoretical properties:
molecular_formula: C20H26O3
molecular_weight: 314.4 g/mol
exact_mass: 314.18819469 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 23
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Acrylfentanyl
SMILES: O=C(N(c1ccccc1)C2CCN(CCc3ccccc3)CC2)C=C
InChIKey: RFQNLMWUIJJEQF-UHFFFAOYSA-N
Synonyms: Acrylfentanyl, Acryloylfentanyl, Acrylfent, Acryl-fentanyl, Acryl-fent, N-(1-phenethylpiperidin-4-yl)-N-phenylacrylamide, T64K7YD33B, 82003-75-6, N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-2-propenamide, DTXSID701036742, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)acrylamide, 2-Propenamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-2-propenamide, RefChem:109440, DTXCID701520824, Acryl fentanyl, UNII-T64K7YD33B, DEA No. 9811, CHEBI:233682, CHEMBL556159, Epitope ID:2278935, MLS003960120, CHEMBL1196205, SCHEMBL18623770, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, BDBM50224313, SMR002658440, NS00018069, C22755, Q27289716
Theoretical properties:
molecular_formula: C22H26N2O
molecular_weight: 334.5 g/mol
exact_mass: 334.204513457 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 6
heavy_atom_count: 25
topological_polar_surface_area: 23.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Acrylfentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with acrylic acid. It is a synthetic analogue of fentanyl. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an anilide, a member of acrylamides, a member of piperidines, a monocarboxylic acid amide and a tertiary amino compound.
chebi: A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of <em>N</em>-phenyl-1-(2-phenylethyl)piperidin-4-amine with acrylic acid. It is a synthetic analogue of fentanyl.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acrylfentanyl (also known as acryloylfentanyl) is a highly potent opioid analgesic that is an analog of fentanyl and has been sold online as a designer drug. In animal studies the IC50 (the half maximal inhibitory concentration for acrylfentanyl to displace naloxone) is 1.4 nM, being slightly more potent than fentanyl itself (1.6 nM) as well as having a longer duration of action.
SMILES: O=C(O[C@]1(C#C)[C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=C/C(=N/O)/CC4)CC3)CC2)CC1)C)C
InChIKey: SCTDPGXGNWEFNF-LQRGBYOBSA-N
Theoretical properties:
Physical properties:
Descriptions:
Compound: Acetyl nitrate
SMILES: O=[N+](OC(=O)C)[O-]
InChIKey: JCZMXVGQBBATMY-UHFFFAOYSA-N
Synonyms: Acetyl nitrate, 591-09-3, BRN 1751232, UNII-79CY6496CR, 79CY6496CR, Acetic acid anhydride with nitric acid, ACETYL NITRATE [MI], ACETIC ACID, ANHYDRIDE with NITRIC ACID (1:1), DTXSID40207839, 4-02-00-00435 (Beilstein Handbook Reference), RefChem:109065, DTXCID40130330, nitro acetate, CH3COONO2, nitric acid-acetic anhydride, SCHEMBL37159, JCZMXVGQBBATMY-UHFFFAOYSA-N, Q22668698
Theoretical properties:
molecular_formula: C2H3NO4
molecular_weight: 105.05 g/mol
exact_mass: 105.00620758 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 7
topological_polar_surface_area: 72.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Acetyl nitrate is the organic compound with the formula CH3C(O)ONO2.  It is classified as the mixed anhydride of nitric and acetic acids. It is a colorless explosive liquid that fumes in moist air.
Compound: Methylstenbolone
SMILES: O=C1C(=C[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@](O)(C)CC4)(C)CC3)CC[C@H]2C1)C)C
InChIKey: TVTSDURKYARCML-IYRCEVNGSA-N
Synonyms: Methylstenbolone, Ultradrol, Methyl sten, 6176-38-1, M-STEN, SE6T9C1YMB, 2,17a-Dimethyl-17b-hydroxy-5a-androst-1-en-3-one, NSC-74234, Androst-1-en-3-one, 17-hydroxy-2,17-dimethyl-, (5alpha,17beta)-, DTXSID301045943, (5alpha,17beta)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one, RefChem:404220, DTXCID901527876, UNII-SE6T9C1YMB, NSC 74234, Methylstenbolone (1.0mg/ml in Acetonitrile), Androst-1-en-3-one, 17-hydroxy-2,17-dimethyl-, (5a,17ss)-; 5a-Androst-1-en-3-one, 17ss-hydroxy-2,17-dimethyl- (6CI,7CI,8CI); NSC 74234, NSC74234, SCHEMBL29846139, CHEBI:79535, 17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one, GAA17638, (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one, Methylstenbolone (1 mg/ml in Acetonitrile), Q27148635, Androst-1-en-3-one,17-hydroxy-2,17-dimethyl-,(5a,17b)-, 2,17.ALPHA.-METHYL-5.ALPHA.-ANDROSTA-1-EN-17.BETA.-OL-3-ONE, ANDROST-1-EN-3-ONE, 17-HYDROXY-2,17-DIMETHYL-, (5.ALPHA.,17.BETA.)-
Theoretical properties:
molecular_formula: C21H32O2
molecular_weight: 316.5 g/mol
exact_mass: 316.240230259 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 23
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
wikipedia: Methylstenbolone, known by the nicknames M-Sten, Methyl-Sten, and Ultradrol, is a synthetic and orally active anabolic–androgenic steroid (AAS) and a 17α-methylated derivative of dihydrotestosterone (DHT) which was never introduced for medical use. It is a designer steroid and has been sold via the internet marketed as a dietary/nutritional supplement.
Compound: Testosterone 3-cyclohexylpropionate
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)CCC5CCCCC5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: HFFZTSFKTLANED-FEZCWRLCSA-N
Synonyms: Testosterone 3-cyclohexylpropionate, RefChem:896633, 2034-94-8, Testosterone cyclohexyl propionate, 930D2884KV, Testosterone cyclohexanepropionate, UNII-930D2884KV, EINECS 217-998-0, SCHEMBL26659932, DTXSID60942497, HFFZTSFKTLANED-FEZCWRLCSA-N, TESTOSTERONE CYCLOHEXYLPROPIONATE, TESTOSTERONE, CYCLOHEXANEPROPIONATE, NS00046369, 3-Oxoandrost-4-en-17-yl 3-cyclohexylpropanoate, TESTOSTERONE CYCLOHEXYL PROPIONATE [WHO-DD], 3-Oxoandrost-4-en-17beta-yl 3-cyclohexylpropanoate, Q27271538, ANDROST-4-EN-3-ONE, 17-(3-CYCLOHEXYL-1-OXOPROPOXY)-, (17.BETA.)-
Theoretical properties:
molecular_formula: C28H42O3
molecular_weight: 426.6 g/mol
exact_mass: 426.31339520 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 31
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Testosterone cyclohexylpropionate (TCHP; brand names Andromar, Femolone, Telipex Retard) is an androgen and anabolic steroid and a testosterone ester.
Compound: Testosterone furoate
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)c5occc5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: GGOXAZFFJDKPQA-QRPBXLKNSA-N
Synonyms: Testosterone furoate, Testosterone, 2-furoate, 60895-85-4, Furotest, 2ZF5A2M4J6, DTXSID001336024, 2-Furoic acid, ester with testosterone, 2-Furoic acid, furoic acid, ester with testosterone, Furotest; 2-Furoic Acid, Ester with Testosterone;, ANDROST-4-EN-3-ONE, 17-((2-FURANYLCARBONYL)OXY)-, (17.BETA.)-, (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl furan-2-carboxylate
Theoretical properties:
molecular_formula: C24H30O4
molecular_weight: 382.5 g/mol
exact_mass: 382.21440943 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 28
topological_polar_surface_area: 56.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Testosterone furoate (brand name Furotest), also referred to as testosterone furanate in some publications, is an androgen and anabolic steroid and a testosterone ester which is no longer marketed.
Compound: Testodur
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)C5CCCCC5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: YKNXICSCSYLTHK-IXKNJLPQSA-N
Synonyms: Testodur, Virex-retard, Sterandryl retard, Tardosterandryl-depot, Sterandryl-A, Testosterone, cyclohexanecarboxylate, testosterone cyclohexanoate, DURANDRON, T4QOX8847Z, 14191-92-5, Testosterone 17-hexahydrobenzoate, Testosterone 17-cyclohexanecarboxylate, RefChem:896636, DTXCID1084346, 238-045-5, DTXSID30161855, Benzotest, Testosterone hexahydrobenzoate, Androst-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-, UNII-T4QOX8847Z, ANDROST-4-EN-3-ONE, 17-((CYCLOHEXYLCARBONYL)OXY)-, (17.BETA.)-, EINECS 238-045-5, BRN 3224322, 4-09-00-00024 (Beilstein Handbook Reference), SCHEMBL3363197, YKNXICSCSYLTHK-IXKNJLPQSA-N, Androst-4-en-3-one, 17-((cyclohexylcarbonyl)oxy)-, (17-beta)-, [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate, TESTOSTERONE HEXAHYDROBENZOATE [WHO-DD], 17-beta-Hydroxyandrost-4-en-3-one hexahydrobenzoate, Q27289666, CYCLOHEXANECARBOXYLIC ACID, ESTER WITH TESTOSTERONE, 3-Oxoandrost-4-en-17-yl cyclohexanecarboxylate-, (17.beta.)-, (10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)cyclohexanecarboxylate
Theoretical properties:
molecular_formula: C26H38O3
molecular_weight: 398.6 g/mol
exact_mass: 398.28209507 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 29
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Testosterone hexahydrobenzoate (THHB), or testosterone cyclohexanecarboxylate (TCHC), sold under the brand names Testormon Depot, Sterandryl Retard, Tardosterandryl, and Testosteron-Depot among others, is an androgen and anabolic steroid medication and a testosterone ester. It is used by intramuscular injection and is provided in the form of ampoules containing 100 mg THHB in oil solution. THHB has comparable pharmacokinetics to those of testosterone cypionate and testosterone enanthate. The medication is no longer marketed. It was previously available in Great Britain.
Compound: 2697-92-9
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)OCC5CCCCC5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: INQMBXZKQQQESC-ZLQWOROUSA-N
Synonyms: 2697-92-9, EINECS 220-274-7, (17beta)-17-(((Cyclohexylmethoxy)carbonyl)oxy)androst-4-en-3-one, (17beta)-17-[[(cyclohexylmethoxy)carbonyl]oxy]androst-4-en-3-one, Testosterone Cyclohexylmethyl Carbonate, SCHEMBL2019051, DTXSID20949745, NS00050100, Cyclohexylmethyl 3-oxoandrost-4-en-17-yl carbonate, Cyclohexylmethyl 3-oxoandrost-4-en-17beta-yl carbonate, (17ss)?-17-?[[(Cyclohexylmethoxy?)?carbonyl]?oxy]?Androst-?4-?en-?3-?one; Cyclohexylmethyl ((8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) Carbonate;
Theoretical properties:
molecular_formula: C27H40O4
molecular_weight: 428.6 g/mol
exact_mass: 428.29265975 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 31
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: This Chinese calendar correspondence table shows the stem/branch year names, correspondences to the Western (Gregorian) calendar, and other related information for the current, 79th sexagenary cycle of the Chinese calendar based on the 2697 BC epoch or the 78th cycle if using the 2637 BC epoch.
Compound: Andradurin
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)CCc5ccc(OCCCCCC)cc5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: GEZMYESNOKRHQS-BSIQDFODSA-N
Synonyms: Andradurin, Testosterone hexyloxyphenyl propionate, 18BZ96H4K3, 4838-37-3, Testosterone, p-(hexyloxy)hydrocinnamate, UNII-18BZ96H4K3, Testosterone 3-(p-hexyloxyphenyl)propionate, Hydrocinnamic acid, p-(hexyloxy)-, ester with testosterone, Testosterone hexyloxyphenyl propionate [WHO-DD], Androst-4-en-3-one, 17-(3-(4-(hexyloxy)phenyl)-1-oxopropoxy)-, (17beta)-, DTXSID201156567, Q27251995, 3-Oxoandrost-4-en-17beta-yl 3-[4-(hexyloxy)phenyl]propanoate, (17beta)-17-[3-[4-(Hexyloxy)phenyl]-1-oxopropoxy]-androst-4-en-3-one, ANDROST-4-EN-3-ONE, 17-(3-(4-(HEXYLOXY)PHENYL)-1-OXOPROPOXY)-, (17.BETA.)-
Theoretical properties:
molecular_formula: C34H48O4
molecular_weight: 520.7 g/mol
exact_mass: 520.35526001 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 11
heavy_atom_count: 38
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: This is a list of androgen esters, including esters (as well as ethers) of natural androgens like testosterone and dihydrotestosterone (DHT) and synthetic anabolic–androgenic steroids (AAS) like nandrolone (19-nortestosterone).
Compound: Testosterone isobutyrate
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)C(C)C)CC4)(C)CC3)CC2)(C)CC1
InChIKey: PYHZLMFTKOTWGQ-WAUHAFJUSA-N
Synonyms: Testosterone isobutyrate, 1169-49-9, H0KNQ242J5, DTXSID70151573, Testocryst, Agovirin-Depot, Testosterone, isobutyrate, RefChem:896638, DTXCID9074064, 214-622-7, Testosterone 17-Isobutyrate, [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-methylpropanoate, 3-Oxoandrost-4-en-17beta-yl 2-Methyl-propanoate (Testosterone Isobutyrate), UNII-H0KNQ242J5, Testosterone 2-Methylpropanoate, EINECS 214-622-7, SCHEMBL1318762, PYHZLMFTKOTWGQ-WAUHAFJUSA-N, AKOS015902333, TESTOSTERONE 2-METHYLPROPIONATE, TESTOSTERONE ISOBUTYRATE [WHO-DD], NS00023768, ISOBUTYRIC ACID, ESTER WITH TESTOSTERONE, 3-Oxoandrost-4-en-17beta-yl 2-methylpropanoate, 3-OXOANDROST-4-EN-17.BETA.-YL ISOBUTYRAT, 17.BETA.-(ISOBUTYROXY)ANDROST-4-EN-3-ONE, Q27279416, TESTOSTERONE PROPIONATE IMPURITY B [EP IMPURITY], (17.BETA.)-17-(2-METHYL-1-OXOPROPOXY)ANDROST-4-EN-3-ONE, (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl isobutyrate
Theoretical properties:
molecular_formula: C23H34O3
molecular_weight: 358.5 g/mol
exact_mass: 358.25079494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 26
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Testosterone isobutyrate, sold under the brand names Agovirin-Depot and Perandren M among others, is an androgen and anabolic steroid medication and a testosterone ester which is used for indications such as low testosterone levels in men and delayed puberty in boys. It is available only in the Czech Republic and Slovakia. The medication is administered by injection into muscle once every 1 to 2 weeks in males. Unlike most other testosterone esters, which are provided as oil solutions, testosterone isobutyrate is formulated as a microcrystalline aqueous suspension.
Compound: testosterone nicotinate
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)c5cnccc5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: KHRRLLSDLVLEIT-BKWLFHPQSA-N
Synonyms: testosterone nicotinate, 668-56-4, 17-beta-Hydroxyandrost-4-en-3-one nicotinate, Bolfortan, 44F122YR9Q, EINECS 211-572-8, UNII-44F122YR9Q, SCHEMBL547291, DTXSID60985364, KHRRLLSDLVLEIT-BKWLFHPQSA-N, TESTOSTERONE NICOTINATE [WHO-DD], NS00042773, 3-Oxoandrost-4-en-17beta-yl pyridine-3-carboxylate, Q27258742, 17-.BETA.-HYDROXYANDROST-4-EN-3-ONE NICOTINATE
Theoretical properties:
molecular_formula: C25H31NO3
molecular_weight: 393.5 g/mol
exact_mass: 393.23039385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 29
topological_polar_surface_area: 56.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Testosterone nicotinate (brand names Bolfortan, Linobol) is an androgen and anabolic steroid medication made by esterifying nicotinic acid and testosterone It was formulated as a 50 mg/mL aqueous suspension provided in ampoules. The medication was manufactured and sold by Lannacher Heilmittel GmbH in Austria. It is no longer marketed.
Testosterone nicotinate had a relatively short duration, somewhere between that of testosterone propionate and testosterone enanthate.
Compound: Stanolone benzoate
SMILES: O=C1C[C@H]2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)c5ccccc5)CC4)(C)CC3)CC2)(C)CC1
InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTSA-N
Synonyms: Stanolone benzoate, Dihydrotestosterone benzoate, 1057-07-4, Vetranal, DTXSID0036502, NSC-69549, T74307G2D9, 5alpha-Androstan-3-one, 17beta-hydroxy-, benzoate, RefChem:888988, DTXCID8016502, 213-891-8, Hermalone, Sarcosan, Androstanolone benzoate, Androstanolone 17-benzoate, [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate, NSC 69549, 5.alpha.-Dihydrotestosterone benzoate, 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-, benzoate, 5alpha-Dihydrotestosterone benzoate, Androstanolone benzoate;Dihydrotestosterone benzoate;DHTB, 5-alpha-Dihydrotestosterone benzoate, EINECS 213-891-8, BRN 3122672, UNII-T74307G2D9, ZGDZDAPCWHIIKB-LVYWIKMTSA-N, 5-alpha-17-beta-Hydroxyandrostan-3-one benzoate, (5-alpha,17-beta)-17-(Benzoyloxy)androstan-3-one, Androstanolone-17-Benzoate, 4-09-00-00464 (Beilstein Handbook Reference), SCHEMBL3366936, Androstan-3-one, 17-(benzoyloxy)-, (5alpha,17beta)-, CHEBI:34979, 5-alpha-ANDROSTAN-3-ONE, 17-beta-HYDROXY-, BENZOATE, Androstan-3-one, 17-(benzoyloxy)-, (5-alpha,17-beta)-, Androstan-3-one, 17-(benzoyloxy)-, (5.alpha.,17.beta.)-, NSC69549, 5.alpha.-Androstan-3-one, benzoate, AKOS015889514, DA-50465, PD126040, 3-Oxo-5alpha-androstan-17beta-yl benzoate, 5alpha-Androstan-17beta-ol-3-one benzoate, HY-128698, CS-0098596, NS00023387, (5.alpha.,17.beta.)-3-Oxoandrostan-17-yl benzoate, Q27116348, Androstanolone 17-benzoate, VETRANAL(TM), analytical standard
Theoretical properties:
molecular_formula: C26H34O3
molecular_weight: 394.5 g/mol
exact_mass: 394.25079494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 29
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Stanolone benzoate is a 3-oxo-5alpha-steroid and a steroid ester.
wikipedia: Androstanolone benzoate (brand names Ermalone-Amp, Hermalone, Sarcosan), also known as stanolone benzoate or dihydrotestosterone benzoate (DHTB), as well as 5α-androstan-17β-ol-3-one 17β-benzoate, is a synthetic androgen and anabolic steroid and a dihydrotestosterone ester. It is used as an injectable and acts as a prodrug of androstanolone (stanolone, dihydrotestosterone, DHT).
Compound: 33776-88-4
SMILES: O=C1C[C@H]2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](OC(=O)CCCCCC)CC4)(C)CC3)CC2)(C)CC1
InChIKey: DDYHAKNCTGGYOK-LVYWIKMTSA-N
Synonyms: 33776-88-4, Stanolone enanthate, Dihydrotestosterone heptanoate, DHTH, Dihydrotestosterone enanthate, UAQ3N36A25, DTXSID90955358, RefChem:133959, DTXCID301383355, Androstanolone heptanoate, (5alpha,17beta)-17-[(1-Oxoheptyl)oxy]androstan-3-one, [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] heptanoate, UNII-UAQ3N36A25, SCHEMBL1317656, C26H42O3, EX-A12343, 3-Oxo-5alpha-androstan-17beta-yl heptanoate, H59300, Q27290985, (5|_,17|_)-17-[(1-Oxoheptyl)oxy]androstan-3-one, Androstan-3-one, 17-((1-oxoheptyl)oxy)-, (5alpha,17beta)-, 5.ALPHA.-ANDROSTAN-3-ONE, 17.BETA.-HYDROXY-, HEPTANOATE
Theoretical properties:
molecular_formula: C26H42O3
molecular_weight: 402.6 g/mol
exact_mass: 402.31339520 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 7
heavy_atom_count: 29
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Androstanolone enanthate (brand name Anaboleen Depot), also known as stanolone enanthate or dihydrotestosterone heptanoate (DHTH), as well as 5α-androstan-17β-ol-3-one 17β-heptanoate, is a synthetic androgen and anabolic steroid and a dihydrotestosterone ester. It is used as an injectable and acts as a prodrug of androstanolone (stanolone, dihydrotestosterone, DHT). The drug has been studied in and found to be effective in the treatment of gynecomastia in boys and adult men. The pharmacology of androstanolone enanthate has been studied.