Compound Identification
SMILES
C[N+](C)(C)CCCNC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=OXDSDRHMZVRNQB-UHFFFAOYSA-O
Formula
C20H34Cl2N3O
Mass
403.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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
Dialkylarylamines Aniline and substituted anilines N-acyl amines Tetraalkylammonium salts Secondary carboxylic acid amides Amino acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Carbonyl group - Organic oxygen compound - Organochloride - Organooxygen compound - Amine - Alkyl chloride - Organic cation - Aromatic homomonocyclic 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