Structure Information
Structure

Compound Identification

SMILES

CC(C)N=C(N)C1=CC=C(C=C1)C1=CC=C(O1)C(=O)NCCNC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

InChIKey

InChIKey=FZIMCUBPLZHEIB-UHFFFAOYSA-N

Formula

C31H39Cl2N5O3

Mass

600.59

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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

2-heteroaryl carboxamide - Furoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl chloride - Organohalogen compound - Amine - Organochloride - 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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