Chemical identity

Olanzapine N-desmethyl Impurity

CAS 161696-76-0 · C16H18N4S

01Identity

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

Lazychem IDLC-23946
PubChem CID135446209
NameOlanzapine N-desmethyl Impurity
CAS RN161696-76-0
Molecular formulaC16H18N4S
Molecular weight298.4
IUPAC name2-Methyl-4-(1-piperazinyl)-10H-thieno[2,3-b][1,5] benzodiazepine
InChIKeyFHPIXVHJEIZKJW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 135446209
Two-dimensional chemical structure of Olanzapine N-desmethyl Impurity, CAS 161696-76-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines2
Tertiary amines1
N-methyl amine sites0
SMILESCC(S1)=CC2=C1NC3=CC=CC=C3N=C2N4CCNCC4
InChINot listed
Formula from structureC16H18N4S
Molecular weight from structure298.4

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of Olanzapine N-desmethyl Impurity 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 Olanzapine N-desmethyl Impurity, 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
C16H17N5OS
Candidate SMILES
Cc1cc2c(s1)N(N=O)c1ccccc1N=C2N1CCNCC1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C16H17N5OS
Candidate SMILES
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(N=O)CC1

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 161696-76-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 161696-76-0 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

Olanzapine

View API and impurity family

Other names

  • 4'-Desmethylolanzapine
  • Desmethylolanzapine
  • Olanzapine Demethyl Impurity
  • Olanzapine NORPIN Impurity

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