Structure Information
Structure

Compound Identification

SMILES

OCCNCCO.OC(=O)CCN1C(=S)S\C(=C\C2=CC=C(C=C2)N(CCBr)CCBr)C1=O

InChIKey

InChIKey=UOBCOTLVEXLSBU-JHGYPSGKSA-N

Formula

C21H29Br2N3O5S2

Mass

627.41

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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

Not available

Substituents

Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Thiazolidine - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Amino acid - Tertiary amine - 1,2-aminoalcohol - Amino acid or derivatives - Alkanolamine - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl bromide - Organic oxide - Alcohol - 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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