Chemical identity
CAS 1270039-29-6 · C21H24F2O4
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-00411 |
|---|---|
| PubChem CID | 58187768 |
| Name | (6S,8S,9R,10S,11S,13S,14S)-6,9-Difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one |
| CAS RN | 1270039-29-6 |
| Molecular formula | C21H24F2O4 |
| Molecular weight | 378.41 g/mol |
| IUPAC name | (6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one |
| InChIKey | KVEOPUITANBHFN-FXZCQDAKSA-N |
![Two-dimensional chemical structure of (6S,8S,9R,10S,11S,13S,14S)-6,9-Difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one, CAS 1270039-29-6](/structures/pubchem/58187768-900.png)
The parsed structure contains 4 rings, includes aliphatic carbon, has 7 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 7 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC=C2C(=O)CO)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O |
|---|---|
| InChI | Not listed |
| Formula from structure | C21H24F2O4 |
| Molecular weight from structure | 378.41 g/mol |
The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
![Two-dimensional chemical structure of (6S,8S,9R,10S,11S,13S,14S)-6,9-Difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one, CAS 1270039-29-6](/structures/pubchem/58187768-300.png)
CAS 1270039-29-6
KVEOPUITANBHFN-FXZCQDAKSA-N
Current configuration
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NO EXACT MATCH FOUND | CAS 1270039-29-6 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 1270039-29-6 has no exact match in the reviewed SCOMET list. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
Difluprednate
View API and impurity familyDated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
Names and machine-readable chemical identity properties.
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Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
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