Chemical identity

Bicalutamide Impurity P

CAS 937802-59-0 · C17H14F4N2O6S

01Identity

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

Lazychem IDLC-08213
PubChem CID44444333
NameBicalutamide Impurity P
CAS RN937802-59-0
Molecular formulaC17H14F4N2O6S
Molecular weight450.36 g/mol
IUPAC name(R)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
InChIKeyZMBWZDLDJNBWBB-INIZCTEOSA-N

02Structure identifiers

2D structurePubChem CID 44444333
2D structure: Bicalutamide Impurity P, CAS 937802-59-0
Structure of Bicalutamide Impurity P (CAS 937802-59-0). LazyChem record. Source identity: PubChem CID 44444333. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC17H14F4N2O6S
InChIKeyZMBWZDLDJNBWBB-INIZCTEOSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
InChIInChI=1S/C17H14F4N2O6S/c1-16(25,9-30(28,29)12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 937802-59-0 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 937802-59-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Bicalutamide

View API and impurity family

Other names

  • (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
  • ZMBWZDLDJNBWBB-INIZCTEOSA-N
  • US10053433, FC 4.125

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