Compound Identification
SMILES
ClCCN(CCCl)C1=CC(Cl)=C(CN2CCCN(CC3=C(Cl)C=C(C=C3)N(CCCl)CCCl)C2C2=CN=CC=C2)C=C1
InChIKey
InChIKey=RMERJMYQQBCCAI-UHFFFAOYSA-N
Formula
C31H37Cl6N5
Mass
692.37
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
Dialkylarylamines Benzylamines Aniline and substituted anilines Chlorobenzenes Pyridines and derivatives Diazinanes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Benzylamine - Halobenzene - Chlorobenzene - Benzenoid - Pyridine - 1,3-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - 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