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Substance Name: Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-, benzyl ester, L-
RN: 96408-99-0
InChIKey: ZCDHMPOSMLSEQE-JTQLQIEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N3-O4

Molecular Weight

  • 313.7394
 
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Names and Synonyms

Synonyms

  • BRN 5617976
  • Ester benzylique de la N-(chloro-2 ethyl)-N-nitrosocarbamyl-L-alanine
  • Ester benzylique de la N-(chloro-2 ethyl)-N-nitrosocarbamyl-L-alanine [French]
  • L-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, phenylmethyl ester
  • N-((2-Chloroethyl)nitrosocarbamoyl)-L-alanine benzyl ester

Systematic Name

  • Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-, benzyl ester, L-

Registry Numbers

CAS Registry Number

  • 96408-99-0

System Generated Number

  • 0096408990

Structure Descriptors

InChI

1S/C13H16ClN3O4/c1-10(15-13(19)17(16-20)8-7-14)12(18)21-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m0/s1

InChIKey

ZCDHMPOSMLSEQE-JTQLQIEISA-N

Smiles

C(=O)(N(N=O)CCCl)N[C@H](C(=O)OCc1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 512, 1984.