Structure Information
Structure

Compound Identification

SMILES

NC(O)=O.COC12C3NC3CN1C1=C(C2CO)C(=O)C(NCCCl)=C(C)C1=O

InChIKey

InChIKey=ZRNJSBVEFVKCHD-UHFFFAOYSA-N

Formula

C17H23ClN4O6

Mass

414.84

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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

Not available

Substituents

Mitomycin - Indole - Pyrrolizine - Quinone - Piperazine - 1,4-diazinane - Pyrroline - Pyrrolidine - Vinylogous amide - Carbamic acid derivative - Ketone - Carbamic acid - Secondary amine - Secondary aliphatic amine - Aziridine - Enamine - Azacycle - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic 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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