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Substance Name: 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
RN: 73237-82-8
InChIKey: IMJRVRXAQMLTQC-LXGUWJNJSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C9-H16-Cl-N3-O7

Molecular Weight

  • 313.6924
 
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Names and Synonyms

Name of Substance

  • 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose

Synonyms

  • 1-(2-Chloroethyl)-3-(D-glucos-3-yl)-1-nitrosourea
  • D-Glucose, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-
  • KCNU
  • NSC 319735D

Systematic Name

  • Urea, 1-(2-chloroethyl)-3-(D-glucopyranos-3-yl)-1-nitroso-

Registry Numbers

CAS Registry Number

  • 73237-82-8

System Generated Number

  • 0073237828

Structure Descriptors

InChI

1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-7(5(16)3-14)8(18)6(17)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7+,8+/m0/s1

InChIKey

IMJRVRXAQMLTQC-LXGUWJNJSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 517, 1980.
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) ENDOCRINE: DIABETES MELLITIS Journal of Antibiotics. Vol. 33, Pg. 517, 1980.