Compound Identification
SMILES
OCC(O)COP(=O)(OC1=CC=CC=C1)N(CCCl)CCCl
InChIKey
InChIKey=HBYCFRYSXHQVKA-UHFFFAOYSA-N
Formula
C13H20Cl2NO5P
Mass
372.18
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
Phosphoric diester monoamides Phenoxy compounds Organic phosphoramides Secondary alcohols 1,2-diols Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Nitrogen mustard - Phosphoric diester monoamide - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Organic phosphoric acid amide - Secondary alcohol - 1,2-diol - Primary alcohol - Alkyl chloride - Organooxygen compound - Organochloride - Alcohol - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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