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Substance Name: DL-Alanine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt
RN: 52616-27-0
InChIKey: YCTYZKUHJDXBEL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-Cl2-N2-O3.Na

Molecular Weight

  • 369.222
 
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Names and Synonyms

Synonyms

  • Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, sodium salt DL-
  • DL-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)alanine sodium salt
  • N(super alpha)-(3-(Di-(2-chloroethyl)amino)-4-methylbenzoyl)-DL-alanine sodium salt
  • Sodium salt of N(sup alpha)-(3-(di(2-chloroethyl)amino)-4-methylbenzoyl)-DL-alanine

Systematic Name

  • DL-Alanine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 52616-27-0

System Generated Number

  • 0052616270

Molecular Formulas

Molecular Formula

  • C15-H19-Cl2-N2-O3.Na

Molecular Formula Fragments

  • C15-H19-Cl2-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H20Cl2N2O3.Na/c1-10-3-4-12(14(20)18-11(2)15(21)22)9-13(10)19(7-5-16)8-6-17;/h3-4,9,11H,5-8H2,1-2H3,(H,18,20)(H,21,22);/q;+1/p-1

InChIKey

YCTYZKUHJDXBEL-UHFFFAOYSA-M

Smiles

c1(N(CCCl)CCCl)cc(C(N[C@@H](C(=O)[O-])C)=O)ccc1C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 8, Pg. 17, 1974.