Compound Identification
SMILES
CC(C)N=C(N)C1=CC=C(C=C1)C1=CC=C(O1)C(=O)NCCNC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=FZIMCUBPLZHEIB-UHFFFAOYSA-N
Formula
C31H39Cl2N5O3
Mass
600.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
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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 Furoic acid and derivatives Dialkylarylamines N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Furoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl chloride - Organohalogen compound - Amine - Organochloride - 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