Chemical identity

2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine

CAS not listed · C16H17N5OS

01Identity

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

Lazychem IDLC-23948
PubChem CID175673704
Name2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
CAS RNNot listed
Molecular formulaC16H17N5OS
Molecular weight327.4 g/mol
IUPAC name2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
InChIKeyNUTOQJMUFCUVBC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 175673704
Two-dimensional chemical structure of 2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines1
Tertiary amines2
N-methyl amine sites0
SMILESO=NN1CCN(C2=NC3=CC=CC=C3NC4=C2C=C(C)S4)CC1
InChINot listed
Formula from structureC16H17N5OS
Molecular weight from structure327.4 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 2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine 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 2-methyl-4-(4-nitrosopiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine, 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
C16H16N6O2S
Candidate SMILES
Cc1cc2c(s1)N(N=O)c1ccccc1N=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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
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 Nitroso Impurity 3

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