Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(CCCNC(=O)C2=CC=C(O2)C2=CC=C(C=C2)C2=NCCN2)C=C1
InChIKey
InChIKey=QOPZUVINYGJVAR-UHFFFAOYSA-N
Formula
C27H30Cl2N4O2
Mass
513.46
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
2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Furoic acid and derivatives Imidolactams Imidazolines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxamidines Carboximidamides Organooxygen compounds Alkyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Furoic acid or derivatives - Nitrogen mustard - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Furan - 2-imidazoline - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Carboximidamide - Organoheterocyclic compound - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Carboxylic acid amidine - Carboxylic acid derivative - Amine - Organic oxide - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Alkyl chloride - Organohalogen compound - Organochloride - Organooxygen compound - 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