Cismadinone
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: Cismadinone|Cismadinona|Cismadinonum|Cismadinone [INN]|6alpha-Chloro-17-hydroxypregna-1,4-diene-3,20-dione|(6alpha)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione|6 alpha-Chloro-17-hydroxypregna-1,4-diene-3,20-dione.|2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acety|6.ALPHA.-CHLORO-17-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE|(1R,3aS,3bR,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H27ClO3 |
|---|---|
| Molecular Weight | 362.1649 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.1649 |
| Monoisotopic Mass | 362.1649 |
| Heavy Atoms | 25 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 6161-49-5 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)O |
| InChIKey | RNSISAJHBSCDGC-SCUQKFFVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cismadinone (CAS 6161-49-5), with molecular formula C21H27ClO3 and molecular weight 362.1649 g/mol. IUPAC: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
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