Structure Information
Structure

Compound Identification

SMILES

OCC1(COC2(CCCCC2)OC1)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)C#N

InChIKey

InChIKey=CSYHFMCPSLCOAJ-UHFFFAOYSA-N

Formula

C24H33Cl2N3O4

Mass

498.45

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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 heteropolycyclic compounds

Substituents

Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Ketal - Meta-dioxane - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Alcohol - Organochloride - Organooxygen compound - Carbonyl group - Primary alcohol - Organopnictogen compound - Amine - Cyanide - Alkyl halide - Organic oxide - Alkyl chloride - Aromatic heteropolycyclic 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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