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Substance Name: N-(2-Chloroethyl)-1-nitrosocarbamoylalanine
RN: 52320-86-2
InChIKey: ORNLZEDGUXUSMV-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-Cl-N3-O4

Molecular Weight

  • 223.615
 
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Names and Synonyms

Name of Substance

  • N-(2-Chloroethyl)-1-nitrosocarbamoylalanine

Synonyms

  • BRN 5545020
  • DL-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
  • N-(((2-Chloroethyl)amino)carbonyl)-DL-alanine mononitroso deriv.
  • NSC 171564

Systematic Name

  • Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, DL-

Registry Numbers

CAS Registry Number

  • 52320-86-2

System Generated Number

  • 0052320862

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 57570ug/kg (57.57mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,