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Substance Name: 4-Hydroxylomustine
RN: 56239-24-8
InChIKey: BTNKSMIZKSHDNT-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H16-Cl-N3-O3

Molecular Weight

  • 249.6964
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxylomustine

Synonyms

  • 1-(2-Chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitrosourea
  • N-(2-Chloroethyl)-N'-(trans-4-hydroxycyclohexyl)-N-nitrosourea
  • NSC-239717
  • trans-4-Hydroxy-ccnu
  • trans-4-OH CCNU

Systematic Names

  • Urea, 1-(2-chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitroso-
  • Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, trans- (9CI)

Registry Numbers

CAS Registry Number

  • 56239-24-8

System Generated Number

  • 0056239248

Structure Descriptors

InChI

1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)

InChIKey

BTNKSMIZKSHDNT-UHFFFAOYSA-N

Smiles

C1CC(CCC1NC(=O)N(CCCl)N=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intravenous 12mg/kg (12mg/kg)   Antibiotics and Chemotherapy Vol. 23, Pg. 64, 1978.
mouse LD50 intraperitoneal 52420ug/kg (52.42mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LDLo intrapleural 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 634, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1 (none)   EXP
Water Solubility 3320 mg/L 25 EST
Vapor Pressure 1.64E-08 mm Hg 25 EST
Henry's Law Constant 6.76E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.