(3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one - ≥95% , CAS No.253135-95-4

CAS: 253135-95-4 Cat. No.: A670099 Molecular Weight: 251.28

GRADE & PURITY ≥95%

Synonyms

(S)-3-Amino-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one | 2H-1,4-Benzodiazepin-2-one, 3-amino-1,3-dihydro-5-phenyl-, (3S)- | AC1LT3Z9 | (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one | SCHEMBL644829 | (+)-(3R)-3-Amino-5-phenyl-1,3-dihyd

Storage

Room temperature

Specifications

Synonyms

(S)-3-Amino-5-phenyl-1, 3-dihydro-2H-benzo[e][1, 4]diazepin-2-one | 2H-1, 4-Benzodiazepin-2-one, 3-amino-1, 3-dihydro-5-phenyl-, (3S)- | AC1LT3Z9 | (3S)-3-amino-5-phenyl-1, 3-dihydro-1, 4-benzodiazepin-2-one | SCHEMBL644829 | (+)-(3R)-3-Amino-5-phenyl-1, 3-dihyd

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Product Properties

• ALogP: 1.5

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)N
• IUPAC Name: (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
• InChIKey: GLUWBSPUUGLXCW-AWEZNQCLSA-N
• INCHI: 1S/C15H13N3O/c16-14-15(19)17-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10/h1-9,14H,16H2,(H,17,19)/t14-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)N
• Molecular Weight: 251.28
• Reaxy-Rn: 660471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=660471&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Alpha amino acids and derivatives Benzene and substituted derivatives Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Imine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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