ClassyFire

Compound Identification

SMILES

BrC(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)CNCC(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)Br

InChIKey

InChIKey=SEOCQRUFHWKQBS-UHFFFAOYSA-N

Formula

C40H5Br78N

Mass

6731.999

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Nitrogen mustard 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

Dialkylamines Organobromides Hydrocarbon derivatives Alkyl bromides

Molecular Framework

Aliphatic acyclic compounds

Substituents

Nitrogen mustard - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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

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