Chemical identity

9-Fluoro Prednisolone

CAS 338-95-4 · C21H27FO5

01Identity

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

Lazychem IDLC-04055
PubChem CID127516
Name9-Fluoro Prednisolone
CAS RN338-95-4
Molecular formulaC21H27FO5
Molecular weight378.4 g/mol
IUPAC name(11β)-9-Fluoro-11,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
InChIKeyWAIJIHDWAKJCBX-BULBTXNYSA-N

02Structure identifiers

2D structurePubChem CID 127516
2D structure: 9-Fluoro Prednisolone, CAS 338-95-4
Structure of 9-Fluoro Prednisolone (CAS 338-95-4). LazyChem record. Source identity: PubChem CID 127516. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H27FO5
InChIKeyWAIJIHDWAKJCBX-BULBTXNYSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESC[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
InChIInChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/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 338-95-4 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 338-95-4 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
  • 9-Fluoroprednisolone
  • delta-Fluorocortisone
  • Isoflupredona
  • Isoflupredonum
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11beta)-
  • 9 alpha-fluoroprednisolone

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