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Substance Name: 2-((((2-Chloroethyl)-nitrosoamino)carbonyl)amino)-1,3-cyclohexanediol
RN: 58484-17-6
UNII: 4093G4WO6Q
InChIKey: BQIFCAGMUAMYDV-JIGDXULJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-Cl-N3-O4

Molecular Weight

  • 265.6954
 
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Names and Synonyms

Name of Substance

  • 2-((((2-Chloroethyl)-nitrosoamino)carbonyl)amino)-1,3-cyclohexanediol

Synonyms

  • 2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-1,3-cyclohexanediol
  • DONU
  • N-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosourea
  • NSC 264395
  • trans,trans-2,6-Dihydroxy-ccnu
  • trans-1-(2-Chloroethyl)-3-(2,6-dihydroxycyclohexyl)-1-nitrosourea
  • UNII-4093G4WO6Q
  • Urea, 1-(2-chloroethyl)-3-(2,6-dihydroxycyclohexyl)-1-nitroso-, (E)-

Systematic Name

  • Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso-, (1-alpha,2-beta,6-beta)-

Registry Numbers

CAS Registry Number

  • 58484-17-6

FDA UNII

  • 4093G4WO6Q

System Generated Number

  • 0058484176

Structure Descriptors

InChI

1S/C9H16ClN3O4/c10-4-5-13(12-17)9(16)11-8-6(14)2-1-3-7(8)15/h6-8,14-15H,1-5H2,(H,11,16)/t6-,7+,8+

InChIKey

BQIFCAGMUAMYDV-JIGDXULJSA-N

Smiles

O[C@@H]1CCC[C@H](O)C1NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 33010ug/kg (33.01mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 11500ug/kg (11.5mg/kg)   Drugs of the Future. Vol. 6, Pg. 25, 1981.