Compound Identification
SMILES
CC(N1C(=O)C2=CC=CC=C2N(C)P1(=S)N(CCCl)CCCl)C1=CC=CC=C1
InChIKey
InChIKey=QEQKMCBMGNVOII-UHFFFAOYSA-N
Formula
C20H24Cl2N3OPS
Mass
456.37
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
Organic thiophosphoric acids and derivatives Benzene and substituted derivatives Vinylogous amides Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrogen mustard - Monocyclic benzene moiety - Organic thiophosphoric acid or derivatives - Benzenoid - Vinylogous amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Alkyl chloride - Organic oxygen compound - 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