基本情報
- CAS
1254-35-9- 標準SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1- InChIKey
KHKDIUPVDIEHAH-KXLSUQFWSA-N- 分子式
- C26H38O4
- 平均分子量
- 414.6 g/mol
- 単同位体質量
- 414.27700969
概要
Oxabolone cipionate is an organic molecular entity.
名称と識別子
- 優先名称
- Oxabolone Cipionate
- IUPAC
- [(8R,9S,10R,13S,14S,17S)-4-hydroxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
名称と別名
Oxabolone cipionate1254-35-9Oxaboloni cipionasCipionate d'oxaboloneCipionato de oxabolonaEsterbol depoOxaboloni cypionasFI 5852Ossabolone cipionatoOxabolone cipionate [INN]Oxabolone 17-cyclopentanepropionateOssabolone cipionato [DCIT]
名称をさらに表示
5RXY50Q01NOxaboloni cipionas [INN-Latin]Cipionate d'oxabolone [INN-French]EINECS 215-011-8Cipionato de oxabolona [INN-Spanish]NSC-522767FI-5852OXABOLONE CIPIONATE [JAN]
データベース識別子
- CAS
1254-35-9- PubChem CID
- 68952
- DTXSID
DTXSID3046879- ChEMBL
CHEMBL2105318- ChEBI
CHEBI:31940- UNII
- 5RXY50Q01N
- EC Number
- 215-011-8
- Nikkaji
- J7.476D
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 63.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 733
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsAndrogenic effects include enhanced secondary sexual characteristics.
Metabolism/Metabolites
The prodrug oxabolone cipionate is converted to oxabolone. Oxabolone is then metabolized into 4-Hydroxyestr-4-en-3,17-dione (M2) which is the most abundant metabolite via oxidation of the 17-hydroxyl group. 4-Hydroxyestran-3,17-dione (M1) is formed by reduction of the A ring double bond along with the oxidation of the 17-hydroxyl group. Three isomeric compounds exist as another metabolite, as the 3α,4-dihydroxy-5α-estran-17-one, 3α,4-dihydroxy-5β-estran-17-one, and 3β,4-dihydroxy-5α-estran-17-one.
Absorption, Distribution and Excretion
The metabolites and unchanged form of oxabolone can be detected in the urine.
The elimination on the first day following intravenous injection of oxabolone cipionate is slow and reaches a rapid excretion phase with the maximum urinary level in the fifth day of administration.
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