Cismadinone acetate
Basic information
- CAS
151-69-9- Standard SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
AQDNTKZTMCWYDA-WXLIAARGSA-N- Molecular formula
- C23H29ClO4
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.1754371
Names & identifiers
- Preferred name
- Cismadinone acetate
- IUPAC
- [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
- English name
- Cismadinone
- Molecular formula
- C23H29ClO4
- Molecular weight
- 404.92696
Names & synonyms
Cismadinone acetate151-69-9[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate8IVS3A4Y7ZPregna-1,4-diene-3,20-dione, 6-alpha-chloro-17-alpha-hydroxy-, acetate (ester)UNII-8IVS3A4Y7Z6-alpha-Chloro-delta(sup 1)-dehydro-17-alpha-acetoxyprogesterone6-alpha-Chloro-17-alpha-hydroxypregna-1,4-diene-3,20-dione acetate (ester)SCHEMBL17419461DTXSID50934144Q272706016alpha-Chloro-3,20-dioxopregna-1,4-dien-17-yl acetate
Show more names
Cismadinone[(6S,8R,9S,10R,13S,14S,17R)-6-chloro-17-ethanoyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoateacetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
(6alpha)-17-(Acetyloxy)-6-chloropregna-1,4-diene-3,20-dione17-(Acetyloxy)-6-chloro-pregna-1,4-diene-3,20-dione, (6alpha)-6.ALPHA.-CHLORO-17-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE ACETATE17-(ACETYLOXY)-6-CHLORO-PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.)-PREGNA-1,4-DIENE-3,20-DIONE, 17-(ACETYLOXY)-6-CHLORO-, (6.ALPHA.)-PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.-CHLORO-17-HYDROXY-, ACETATE
Database identifiers
- CAS
151-69-9- PubChem CID
- 200121
- DTXSID
DTXSID50934144- UNII
- 8IVS3A4Y7Z
- Nikkaji
- J67.046D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 813
Physicochemical properties
- FDA UNII
- 8 IVS3A4Y7Z · 8IVS3A4Y7Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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