Chemical identity

Tamoxifen EP Impurity A / Tamoxifen (E)-Isomer

CAS 13002-65-8 · C26H29NO

01Identity

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

Lazychem IDLC-28799
PubChem CID3032583
NameTamoxifen EP Impurity A / Tamoxifen (E)-Isomer
CAS RN13002-65-8
Molecular formulaC26H29NO
Molecular weight371.51 g/mol
IUPAC name2-[4-[(E)-1,2-Diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
InChIKeyNKANXQFJJICGDU-OCEACIFDSA-N

02Structure identifiers

2D structurePubChem CID 3032583
Two-dimensional chemical structure of Tamoxifen EP Impurity A / Tamoxifen (E)-Isomer, CAS 13002-65-8
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites2
SMILESCC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChINot listed
Formula from structureC26H29NO
Molecular weight from structure371.51 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Tamoxifen EP Impurity A / Tamoxifen (E)-Isomer with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Tamoxifen EP Impurity A / Tamoxifen (E)-Isomer, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C25H26N2O2
Candidate SMILES
CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)N=O)cc1)c1ccccc1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 13002-65-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13002-65-8 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

Tamoxifen

View API and impurity family

Other names

  • Tamoxifen EP Impurity A
  • Tamoxifen (E)-Isomer
  • 2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-ethylamine
  • (E)-Tamoxifen(Tamoxifen EP Impurity A)
  • (E)-Tamoxifen
  • 2-[4-[(1E)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-ethanamine
  • cis-Tamoxifen
  • 13002-65-8
  • Tamoxifen (E)
  • UNII-56SY0DIL6N
  • 56SY0DIL6N
  • BRN 2062021

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