Structure Information
Structure

Compound Identification

SMILES

CC12CN3CC(C)(CN(C1)C3C1=CC=C(OP(=O)(OC3=CC=CC=C3)N(CCCl)CCCl)C=C1)C2=O

InChIKey

InChIKey=KVNATVNXLATZCK-UHFFFAOYSA-N

Formula

C26H32Cl2N3O4P

Mass

552.43

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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

Phenoxy compound - Nitrogen mustard - Phosphoric diester monoamide - Piperidinone - Monocyclic benzene moiety - 1,3-diazinane - Organic phosphoric acid derivative - Phosphoric acid ester - Piperidine - Benzenoid - Organic phosphoric acid amide - Ketone - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organochloride - Amine - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl halide - 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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