Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C2N=C[C@@H]3CC[C@H](O)N3C(=O)C2=C1.COC1=C(O)C=C2N=C[C@@H]3CC[C@@H](O)N3C(=O)C2=C1

InChIKey

InChIKey=DOZXCNCPKXGGBC-VKKUPAEUSA-N

Formula

C26H28N4O8

Mass

524.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,1-c][1,4]benzodiazepines

Alternative Parents

Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Pyrrolidines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Pyrrolo[2,1-c][1,4]benzodizepine - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Propargyl-type 1,3-dipolar organic compound - Alkanolamine - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.

External Descriptors

Not available

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