Structure Information
Structure

Compound Identification

SMILES

CO[C@]12C3C(CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=IEODXZXRDPARKL-BGYQIFAQSA-N

Formula

C22H21ClN4O6

Mass

472.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Mitomycins, mitosane and mitosene derivatives

Direct Parent

Mitomycins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Mitomycin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole - Benzamide - Benzoic acid or derivatives - Pyrrolizine - Benzoyl - Quinone - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Piperazine - 1,4-diazinane - Aryl chloride - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Pyrroline - Pyrrolidine - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Ketone - Carbonic acid derivative - Aziridine - Azacycle - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Amine - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

External Descriptors

Not available

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