Compound Identification
SMILES
OCC1(COC2(CCCCC2)OC1)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)C#N
InChIKey
InChIKey=CSYHFMCPSLCOAJ-UHFFFAOYSA-N
Formula
C24H33Cl2N3O4
Mass
498.45
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
Aniline and substituted anilines Dialkylarylamines Ketals 1,3-dioxanes Fatty amides Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organopnictogen compounds Alkyl chlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Ketal - Meta-dioxane - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Alcohol - Organochloride - Organooxygen compound - Carbonyl group - Primary alcohol - Organopnictogen compound - Amine - Cyanide - Alkyl halide - Organic oxide - Alkyl chloride - 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