Chemical identity

Olanzapine F-PIN Impurity / N-Demethyl-N-formylolanzapine

CAS 639460-79-0 · C₁₇H₁₈N₄OS

01Identity

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

Lazychem IDLC-23939
PubChem CID135503649
NameOlanzapine F-PIN Impurity / N-Demethyl-N-formylolanzapine
CAS RN639460-79-0
Molecular formulaC₁₇H₁₈N₄OS
Molecular weight326.42
IUPAC name4-(2-Methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-1-piperazinecarboxaldehyde
InChIKeySFWJCBPXQCTXTO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 135503649
Two-dimensional chemical structure of Olanzapine F-PIN Impurity / N-Demethyl-N-formylolanzapine, CAS 639460-79-0
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 amines1
Tertiary amines1
N-methyl amine sites0
SMILESCC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C=O
InChINot listed
Formula from structureC₁₇H₁₈N₄OS
Molecular weight from structure326.42

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 Olanzapine F-PIN Impurity / N-Demethyl-N-formylolanzapine 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 F-PIN Impurity / N-Demethyl-N-formylolanzapine, 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
C17H17N5O2S
Candidate SMILES
Cc1cc2c(s1)N(N=O)c1ccccc1N=C2N1CCN(C=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 639460-79-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 639460-79-0 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

  • Olanzapine F-PIN Impurity
  • N-Demethyl-N-formylolanzapine
  • 4-(2-Methyl-10H-thieno[2, 3-b][1, 5]benzodiazepin-4-yl)-1-piperazinecarboxaldehyde
  • Olanzapine F-PIN
  • 639460-79-0
  • 4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazine-1-carbaldehyde
  • 4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazine-1-carbaldehyde
  • 4-(2-Methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-1-piperazinecarboxaldehyde
  • OLANZAPINEIMPURITY5
  • Olanzapine N-Formyl Impurity
  • SCHEMBL3375001

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