Compound Identification
SMILES
OC(=O)CCCCCCN1C=C(N(CCCl)CCCl)C(=O)NC1=O
InChIKey
InChIKey=RYFJCXZGUNPVNW-UHFFFAOYSA-N
Formula
C15H23Cl2N3O4
Mass
380.27
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
Medium-chain fatty acids Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Heterocyclic fatty acids Halogenated fatty acids Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Pyrimidone - Aminopyrimidine - Halogenated fatty acid - Heterocyclic fatty acid - Pyrimidine - Hydropyrimidine - Fatty acid - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Amino acid - Urea - Tertiary amine - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Organochloride - Organohalogen compound - 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