Chemical identity

Olanzapine Acetyl Open Ring Analog

CAS 1320360-87-9 · C17H20N4O2S

01Identity

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

Lazychem IDLC-23931
PubChem CID71751203
NameOlanzapine Acetyl Open Ring Analog
CAS RN1320360-87-9
Molecular formulaC17H20N4O2S
Molecular weight344.43 g/mol
IUPAC name(Z)-(4-(4-methylpiperazin-1-yl)-2-thioxo-1H-benzo[b][1,4]diazepin-3(2H)-ylidene)methyl acetate
InChIKeyKMCOFWWWTNQXFV-QBFSEMIESA-N

02Structure identifiers

2D structurePubChem CID 71751203
Two-dimensional chemical structure of Olanzapine Acetyl Open Ring Analog, CAS 1320360-87-9
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 amines1
Tertiary amines2
N-methyl amine sites1
SMILESCC(=O)O/C=C/1\C(=S)NC2=CC=CC=C2N=C1N3CCN(CC3)C
InChINot listed
Formula from structureC17H20N4O2S
Molecular weight from structure344.43 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 Olanzapine Acetyl Open Ring Analog 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 Acetyl Open Ring Analog, 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
C16H17N5O3S
Candidate SMILES
CC(=O)O/C=C1\C(=S)Nc2ccccc2N=C1N1CCN(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 1320360-87-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1320360-87-9 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

  • (Z)-(4-(4-Methylpiperazin-1-yl)-2-thioxo-1H-benzo[b][1,4]diazepin-3(2H)-ylidene)methyl acetate
  • 1320360-87-9
  • Olanzapine Impurity 8
  • Olanzapine ThioacetoxyMethylidene IMpurity
  • R3XSK9P9JT
  • (3Z)-3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione
  • 2H-1,5-Benzodiazepine-2-thione, 3-[(acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-, (3Z)-
  • 3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione
  • 3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione, (3Z)-

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