Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
RN: 80687-30-5
InChIKey: PHIBXHJLLMCJFU-BQBZGAKWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-Cl-N3-O4

Molecular Weight

  • 265.6954
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 5562830
  • L-Isoleucine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
  • N-((2-Chloroethyl)nitrosocarbamoyl)-L-isoleucine
  • N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-isoleucine
  • N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-isoleucine [French]

Systematic Name

  • Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-

Registry Numbers

CAS Registry Number

  • 80687-30-5

System Generated Number

  • 0080687305

Structure Descriptors

InChI

1S/C9H16ClN3O4/c1-3-6(2)7(8(14)15)11-9(16)13(12-17)5-4-10/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7-/m0/s1

InChIKey

PHIBXHJLLMCJFU-BQBZGAKWSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)O)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 512, 1984.