Compound Identification
SMILES
CC1=C(CBr)[N+](=O)C2=C(CCCC2Br)N1[O-]
InChIKey
InChIKey=BSMAVCIIEIMDHQ-UHFFFAOYSA-N
Formula
C10H12Br2N2O2
Mass
352.026
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
Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Aminoxides Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Nitrogen mustard - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Aminoxide - Azacycle - Alkyl halide - Alkyl bromide - Organobromide - Organic salt - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic 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