Chemical identity

6-Br-Betamethasone-21-acetate/ 6-Br-Betamethasone-21-acetate

CAS 52618-94-7 · C24H30BrFO6

01Identity

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

Lazychem IDLC-03658
PubChem CID169435386
Name6-Br-Betamethasone-21-acetate/ 6-Br-Betamethasone-21-acetate
CAS RN52618-94-7
Molecular formulaC24H30BrFO6
Molecular weight513.4 g/mol
IUPAC name(6a,11b,16b)-21-(Acetyloxy)-6-bromo-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
InChIKeyWCBHORKWCUQBTR-RYRQIHONSA-N

02Structure identifiers

2D structurePubChem CID 169435386
Two-dimensional chemical structure of 6-Br-Betamethasone-21-acetate/ 6-Br-Betamethasone-21-acetate, CAS 52618-94-7
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 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)Br
InChINot listed
Formula from structureC24H30BrFO6
Molecular weight from structure513.4 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 52618-94-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 52618-94-7 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

Betamethasone

View API and impurity family

Other names

  • 6-Br-Betamethasone-21-acetate
  • 6alpha-Bromobetamethasone 21-Acetate
  • 52618-94-7
  • 6?-Bromobetamethasone 21-Acetate
  • 6
  • A-Bromobetamethasone 21-Acetate

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