N-Desmethylolanzapine - ≥98% , CAS No.161696-76-0

CAS: 161696-76-0 Cat. No.: N1439355 Molecular Weight: 371.33 EC Number: 605-264-6 PubChem CID: 135446209

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N-Desmethylolanzapine is an antipsychotic drug.The formation of N-Desmethylolanzapine correlates with the level and activityof human liver flavin-containing monooxygenase (FMO3). N-Desmethylolanzapinecan be used in the study of antipsychotic drugs.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCNCC4
• IUPAC Name: 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
• InChIKey: FHPIXVHJEIZKJW-UHFFFAOYSA-N
• INCHI: 1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
• Isomeric SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCNCC4
• WGK Germany: 2
• PubChem CID: 135446209
• Molecular Weight: 371.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: Thienodiazepines 2,3,5-trisubstituted thiophenes N-arylated-2-aminothiophenes 1,4-diazepines Piperazines Imidolactams Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Para-diazepine - N-arylated-2-aminothiophene - 1,4-diazinane - Piperazine - 2-aminothiophene - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Amidine - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): 55.4 °F
• Flash Point(°C): 13 °C