Chemical identity

9-fluoro-Prednisolone-21-acetate

CAS 338-98-7 · C23H29FO6

01Identity

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

Lazychem IDLC-04057
PubChem CID224246
Name9-fluoro-Prednisolone-21-acetate
CAS RN338-98-7
Molecular formulaC23H29FO6
Molecular weight420.47 g/mol
IUPAC name21-Acetoxy-9-fluoro-11ß,17-dihydroxypregna-1,4-diene-3,20-dion
InChIKeyZOCUOMKMBMEYQV-GSLJADNHSA-N

02Structure identifiers

2D structurePubChem CID 224246
2D structure: 9-fluoro-Prednisolone-21-acetate, CAS 338-98-7
Structure of 9-fluoro-Prednisolone-21-acetate (CAS 338-98-7). LazyChem record. Source identity: PubChem CID 224246. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC23H29FO6
InChIKeyZOCUOMKMBMEYQV-GSLJADNHSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O
InChIInChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres72D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 338-98-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 338-98-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Prednisolone

View API and impurity family

Other names

  • Isoflupredone Acetate
  • Biorinil
  • Isoflupredone 21-acetate
  • U-6013
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11beta)-

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