Chemical identity

Bromfenac Inhouse Impurity B/ Bromfenac Related Compound 4/ 7-(4-Bromobenzoyl)-3-(methylthio)indolin-2-one

CAS 91713-90-5 · C16H12BrNO2S

01Identity

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

Lazychem IDLC-08780
PubChem CID13408116
NameBromfenac Inhouse Impurity B/ Bromfenac Related Compound 4/ 7-(4-Bromobenzoyl)-3-(methylthio)indolin-2-one
CAS RN91713-90-5
Molecular formulaC16H12BrNO2S
Molecular weight362.24
IUPAC name7-(4-bromobenzoyl)-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
InChIKeyNTRVSAGGUDUCFD-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 13408116
Two-dimensional chemical structure of Bromfenac Inhouse Impurity B/ Bromfenac Related Compound 4/ 7-(4-Bromobenzoyl)-3-(methylthio)indolin-2-one, CAS 91713-90-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCSC1C2=C(C(=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC1=O
InChINot listed
Formula from structureC16H12BrNO2S
Molecular weight from structure362.24

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 91713-90-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 91713-90-5 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

Bromfenac

View API and impurity family

Other names

  • Bromfenac Inhouse Impurity B
  • Bromfenac Related Compound 4/ 7-(4-Bromobenzoyl)-3-(methylthio)indolin-2-one
  • Bromfenac Impurity B
  • Bromfenac sodium imp-B
  • 91713-90-5
  • Bromfenac Impurity 64
  • SCHEMBL28381581
  • FB172788
  • 7-(4-bromobenzoyl)-3-(methylthio)indolin-2-one

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