Basic information
- Standard SMILES
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O- InChIKey
FCKLFGKATYPJPG-SSTBVEFVSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- Oxendolone
- IUPAC
- (8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- Oxendolone
- Molecular formula
- C20H30O2
- Molecular weight
- 302.455
Names & synonyms
oxendolone33765-68-3OxendolonaTSAA-291OxendolonumDTXSID8048814MN4I850D4PDTXCID502874016 beta-ethyl-17 beta-hydroxyestr-4-en-3-oneEHOORefChem:928360TSAA291
Show more names
RoxenoneESTR-4-EN-3-ONEOxendolone USP/EP/BP16b-Ethyl-19-nortestosterone16β-Ethyl-19-nortestosterone16beta-Ethyl-19-nortestosterone16β-Ethyl-17β-hydroxyestr-4-en-3-one
16 beta-ethyl-19-nortestosterone16 ethyl-17-hydroxy-4-estren-3-one(16 beta,17 beta)-16-ethyl-17-hydroxyestr-4-en-3-oneProstetinTsaa 29116beta-Ethyl-17beta-hydroxyestr-4-en-3-one(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneNCGC00183854-01
Database identifiers
- CAS
33765-68-3- PubChem CID
- 443947
- DTXSID
DTXSID8048814- ChEMBL
CHEMBL513856- ChEBI
CHEBI:31946- UNII
- MN4I850D4P
- Nikkaji
- J3.493B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Melting point
- 152 · 152-153℃
- alpha
- 41 ° · D +41° (c = 1.0 in ethanol)
- Boiling point
- 383.47 °C · 383.47°C (rough estimate)
- Density
- 1.0434 · 1.0434 (rough estimate)
- refractive index
- 1.498 · 1.4980 (estimate)
- pka
- 15.08 · 15.08±0.60(Predicted)
- FDA UNII
- 4 I850D4P · MN4I850D4P
- Toxicity
- 50 in · LD50 in rats, mice (g/kg): >10 orally; 5-10 i.m. and i.p. (Hiraga, 1971)
Safety & regulation
Safety data
- Toxicity
- LD50 in rats, mice (g/kg): >10 orally; 5-10 i.m. and i.p. (Hiraga, 1971)
Chemistry & industry
Applications
DescriptionOxendolone can be used as an anti-androgen drug and has an anti-androgen effect. Competitive antagonism occurs directly with male hormones in the prostate, inhibiting the weight of the prostate and seminal vesicles. The specificity of its anti-androgen effect is high, and it directly competes with androgens in the prostate and hardly shows other hormonal effects.
UsesOxendolone is used as an anti-androgen (benign prostatic hypertrophy).
Upstream & downstream products
Upstream raw materials
Suppliers3 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Additional notes
DefinitionChEBI: Oxendolone is an organic molecular entity.
Related reactions
6 records
Linked notes
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