Chemical identity

Difluprednate 21-Desacetyl Impurity

CAS 23640-96-2 · C25H32F2O6

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-12907
PubChem CID12986413
NameDifluprednate 21-Desacetyl Impurity
CAS RN23640-96-2
Molecular formulaC25H32F2O6
Molecular weight466.51 g/mol
IUPAC name(6α,11β)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione
InChIKeyBQEJAAIPKDQEPV-MXHGPKCJSA-N

02Structure identifiers

2D structurePubChem CID 12986413
Two-dimensional chemical structure of Difluprednate 21-Desacetyl Impurity, CAS 23640-96-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)CO
InChINot listed
Formula from structureC25H32F2O6
Molecular weight from structure466.51 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 23640-96-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 23640-96-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Difluprednate

View API and impurity family

Other names

  • (6alpha,11beta)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione
  • 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
  • 44L6C59WTE
  • DTXSID00178314
  • DFBMETABOLITE OF DIFLUPREDNATE
  • 6.ALPHA.,9-DIFLUOROPREDNISOLONE 17BUTYRATE
  • BUTYRIC ACID, 17-ESTER WITH 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
  • PREGNA-1,4-DIENE-3,20-DIONE, 6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)-, (6.ALPHA.,11.BETA.)-
  • PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXY-, 17-BUTYRATE
  • RefChem:69680
  • DTXCID30100805
  • 23640-96-2

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources