Compound Identification
SMILES
CC12CN3CC(C)(CN(C1)C3C1=CC=C(OP(=O)(OC3=CC=CC=C3)N(CCCl)CCCl)C=C1)C2=O
InChIKey
InChIKey=KVNATVNXLATZCK-UHFFFAOYSA-N
Formula
C26H32Cl2N3O4P
Mass
552.43
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 Piperidinones Organic phosphoramides Diazinanes Ketones Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Nitrogen mustard - Phosphoric diester monoamide - Piperidinone - Monocyclic benzene moiety - 1,3-diazinane - Organic phosphoric acid derivative - Phosphoric acid ester - Piperidine - Benzenoid - Organic phosphoric acid amide - Ketone - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organochloride - Amine - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic oxide - Carbonyl group - 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