Compound Identification
SMILES
CC(C)C1(OC2(O)CCCCCN2C1=O)C(=O)NNC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=LHMAOGJRVUBHGZ-UHFFFAOYSA-N
Formula
C26H38Cl2N4O5
Mass
557.51
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
Aniline and substituted anilines Dialkylarylamines Azepanes Oxazolidinones Diacylhydrazines Tertiary carboxylic acid amides Orthocarboxylic acid derivatives Amino acids and derivatives Lactams Oxacyclic compounds Alkanolamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Azepane - Diacylhydrazine - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid hydrazide - Lactam - Orthocarboxylic acid derivative - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Alkanolamine - Carboxylic acid derivative - Organooxygen compound - Alkyl halide - Amine - Alkyl chloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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