Chemical identity

Clobetasone Butyrate EP Impurity D / 2-Bromoclobetasone Butyrate

CAS 639817-51-9 · C26H31BrClFO5

01Identity

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

Lazychem IDLC-11175
PubChem CID156613815
NameClobetasone Butyrate EP Impurity D / 2-Bromoclobetasone Butyrate
CAS RN639817-51-9
Molecular formulaC26H31BrClFO5
Molecular weight557.88 g/mol
IUPAC name2-bromo-21-chloro-9-fluoro-16β-methyl- 3,11,20-trioxopregna-1,4-dien-17-yl butanoate
InChIKeyHJMWRFQWUXHRAH-DWPQHFKNSA-N

02Structure identifiers

2D structurePubChem CID 156613815
Two-dimensional chemical structure of Clobetasone Butyrate EP Impurity D / 2-Bromoclobetasone Butyrate, CAS 639817-51-9
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 7 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C(=C[C@@]43C)Br)F)C)C)C(=O)CCl
InChINot listed
Formula from structureC26H31BrClFO5
Molecular weight from structure557.88 g/mol

03Stereochemistry

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

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 639817-51-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 639817-51-9 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

Clobetasone

View API and impurity family

Other names

  • Clobetasone Butyrate EP Impurity D
  • 2-Bromoclobetasone Butyrate
  • U3BD8ER86C
  • 639817-51-9
  • UNII-U3BD8ER86C
  • Clobetasone butyrate impurity D [EP]
  • 2-Bromo-21-chloro-9-fluoro-16beta-methyl-3,11,20-trioxopregna-1,4-dien-17-yl butanoate
  • Pregna-1,4-diene-3,11,20-trione, 2-bromo-21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16beta)-
  • CLOBETASONE BUTYRATE IMPURITY D [EP IMPURITY]
  • 2-bromo-21-chloro-9-fluoro-16
  • A-methyl-3,11,20-trioxopregn-1-en-17-yl butanoate (2-bromoclobetasonebutyrate)

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