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Substance Name: Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
RN: 80687-07-6
InChIKey: ORNLZEDGUXUSMV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C6-H10-Cl-N3-O4

Molecular Weight

  • 223.615
 
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Names and Synonyms

Synonyms

  • BRN 5545020
  • N-((2-Chloroethyl)nitrosocarbamoyl)alanine

Systematic Name

  • Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-

Registry Numbers

CAS Registry Number

  • 80687-07-6

System Generated Number

  • 0080687076

Structure Descriptors

InChI

1S/C6H10ClN3O4/c1-4(5(11)12)8-6(13)10(9-14)3-2-7/h4H,2-3H2,1H3,(H,8,13)(H,11,12)

InChIKey

ORNLZEDGUXUSMV-UHFFFAOYSA-N

Smiles

CC(NC(=O)N(CCCl)N=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 512, 1984.