Chemical identity

Bicalutamide Related Compound B/ Bicalutamide 3-Fluoro Isomer

CAS 1166228-30-3 · C18H14F4N2O4S

01Identity

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

Lazychem IDLC-08222
PubChem CID42604836
NameBicalutamide Related Compound B/ Bicalutamide 3-Fluoro Isomer
CAS RN1166228-30-3
Molecular formulaC18H14F4N2O4S
Molecular weight430.37 g/mol
IUPAC name(RS)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(3-fluorophenylsulfonyl)-2-hydroxy-2- methylpropanamide
InChIKeyJNUHKUUHIXCACT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 42604836
Two-dimensional chemical structure of Bicalutamide Related Compound B/ Bicalutamide 3-Fluoro Isomer, CAS 1166228-30-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(CS(=O)(=O)C1=CC=CC(=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChINot listed
Formula from structureC18H14F4N2O4S
Molecular weight from structure430.37 g/mol

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 1166228-30-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1166228-30-3 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

Bicalutamide

View API and impurity family

Other names

  • Bicalutamide Related Compound B
  • Bicalutamide 3-Fluoro Isomer
  • 3-Fluoro-4-desfluoro bicalutamide
  • 1166228-30-3
  • (RS)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(3-fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide
  • Bicalutamide USP rc B
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((3-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide
  • RZS3UUD66Y
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((3-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-
  • RefChem:198280
  • 3-Fluorophenyl Bicalutamide
  • Bicalutamide Impurity 5

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