Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(C=C1)N1N=C(C)\C(=C/C2=CC=C(C=C2)N(CCCl)CCCl)C1=O

InChIKey

InChIKey=UATXFPVMZSEFHY-CJLVFECKSA-N

Formula

C23H25Cl2N3O

Mass

430.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrogen mustard - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Pyrazoline - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.

External Descriptors

Not available

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