Chemical identity

Anastrozole EP Impurity A/ Anastrozole Related Compound B/ α-Desmethyl Anastrozole

CAS 1215780-15-6 · C16H17N5

01Identity

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

Lazychem IDLC-06348
PubChem CID57149578
NameAnastrozole EP Impurity A/ Anastrozole Related Compound B/ α-Desmethyl Anastrozole
CAS RN1215780-15-6
Molecular formulaC16H17N5
Molecular weight279.34 g/mol
IUPAC name2-[3-[(1RS)-1-Cyanoethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
InChIKeyLXXANTDQIIXQBZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 57149578
Two-dimensional chemical structure of Anastrozole EP Impurity A/ Anastrozole Related Compound B/ α-Desmethyl Anastrozole, CAS 1215780-15-6
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
InChINot listed
Formula from structureC16H17N5
Molecular weight from structure279.34 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 1215780-15-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1215780-15-6 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

Anastrozole

View API and impurity family

Other names

  • Anastrozole EP Impurity A
  • α-Desmethyl Anastrozole
  • 2-[3-(1-cyanoethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]-2-methylpropanenitrile
  • RefChem:454852
  • 680-789-1
  • 1215780-15-6
  • alpha-Desmethyl Anastrozole
  • Anastrozole Impurity B
  • Desmethyl anastrozole
  • 8B4ZL030W6
  • a-Desmethyl Anastrozole(>90%)
  • 2-(3-((1H-1,2,4-Triazol-1-yl)methyl)-5-(1-cyanoethyl)phenyl)-2-methylpropanenitrile

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