Oxabolone Cipionate
Grundinformationen
- CAS
1254-35-9- Standard-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- Summenformel
- C26H38O4
- Durchschnittliche Molmasse
- 414,6 g/mol
- Monoisotopische Masse
- 414,27700969
Überblick
Oxabolone cipionate is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
Oxabolone cipionate1254-35-9Oxaboloni cipionasCipionate d'oxaboloneCipionato de oxabolonaEsterbol depoOxaboloni cypionasFI 5852Ossabolone cipionatoOxabolone cipionate [INN]Oxabolone 17-cyclopentanepropionateOssabolone cipionato [DCIT]
Weitere Namen anzeigen
5RXY50Q01NOxaboloni cipionas [INN-Latin]Cipionate d'oxabolone [INN-French]EINECS 215-011-8Cipionato de oxabolona [INN-Spanish]NSC-522767FI-5852OXABOLONE CIPIONATE [JAN]
Datenbank-Bezeichner
- CAS
1254-35-9- PubChem CID
- 68952
- DTXSID
DTXSID3046879- ChEMBL
CHEMBL2105318- ChEBI
CHEBI:31940- UNII
- 5RXY50Q01N
- EC Number
- 215-011-8
- Nikkaji
- J7.476D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 733
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Chemie und Industrie
Pharmakologische Informationen
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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