Tunnistetiedot

Bicalutamide Oxirane Impurity

CAS 90357-51-0 · C12H9F3N2O2

01Tunnistetiedot

Lazychem IDLC-08220
CAS RN90357-51-0
PubChem CID10149314
Molecular formulaC12H9F3N2O2
Molecular weight270.21 g/mol
IUPAC nameN-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide
InChIKeyUQUQTWDUTIAAAY-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 10149314
Two-dimensional chemical structure of Bicalutamide Oxirane Impurity, CAS 90357-51-0
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
Ring count2
Secondary amines0
Tertiary amines0
SMILESO=C(C1(C)OC1)NC2=CC=C(C#N)C(C(F)(F)F)=C2
InChIEi ilmoitettu

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.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

API ja emolääke

Bicalutamide

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

  • 2-Methyloxirane-2-carboxylic acid N-(4-Cyano-3-trifluoromethylphenyl)amide

Epäpuhtaudet ja lähiyhdisteet

06Lähteet