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Substance Name: Alanine, 3-(p-(p-(bis(2-chloroethyl)amino)phenoxy)phenyl)-, sodium salt
ID: AY33500000
InChIKey: CNUQLSGWFMJCBS-FERBBOLQSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H22-Cl2-N2-O3.Na

Molecular Weight

  • 419.2819
 
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Names and Synonyms

Synonyms

  • CB 3051 sodium salt
  • p-(p'-N,N-Di-(2-chloroethyl)aminophenoxy)phenylalanine sodium salt

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/AY3350000

System Generated Number

  • AY33500000

Molecular Formulas

Molecular Formula

  • C19-H22-Cl2-N2-O3.Na

Molecular Formula Fragments

  • C19-H22-Cl2-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H22Cl2N2O3.Na/c20-9-11-23(12-10-21)15-3-7-17(8-4-15)26-16-5-1-14(2-6-16)13-18(22)19(24)25;/h1-8,18H,9-13,22H2,(H,24,25);/q;+1/p-1/t18-;/m0./s1

InChIKey

CNUQLSGWFMJCBS-FERBBOLQSA-M

Smiles

[Na+].N[C@@H](Cc1ccc(Oc2ccc(cc2)N(CCCl)CCCl)cc1)C(=O)[O-]