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Substance Name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, sodium salt, DL-
ID: AY40264900
InChIKey: UGJQHSLRIXWDSV-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H17-Cl2-N2-O2.Na

Molecular Weight

  • 327.1853
 
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Names and Synonyms

Synonyms

  • CB 3007 sodium salt
  • p-Di-(2-chloroethyl)amino-DL-phenylalanine sodium salt

Systematic Name

  • Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, sodium salt, DL-

Registry Numbers

ID Number

  • NIOSH/AY4026490

System Generated Number

  • AY40264900

Molecular Formulas

Molecular Formula

  • C13-H17-Cl2-N2-O2.Na

Molecular Formula Fragments

  • C13-H17-Cl2-N2-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H18Cl2N2O2.Na/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);/q;+1/p-1

InChIKey

UGJQHSLRIXWDSV-UHFFFAOYSA-M

Smiles

[Na+].NC(Cc1ccc(cc1)N(CCCl)CCCl)C(=O)[O-]