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Substance Name: Urea, 1-(2-chloroethyl)-1-nitro-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-
RN: 74751-37-4
InChIKey: IQPDOPNOTVECJO-XLWJZTARSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-Cl-N3-O10

Molecular Weight

  • 453.8296
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-1-nitrosourea
  • BRN 5671527
  • NSC 264402

Systematic Name

  • Urea, 1-(2-chloroethyl)-1-nitro-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-

Registry Numbers

CAS Registry Number

  • 74751-37-4

System Generated Number

  • 0074751374

Structure Descriptors

InChI

1S/C16H24ClN3O10/c1-8(21)27-7-11-13(28-9(2)22)12(18-16(24)20(19-25)6-5-17)14(29-10(3)23)15(26-4)30-11/h11-15H,5-7H2,1-4H3,(H,18,24)/t11-,12+,13-,14-,15-/m1/s1

InChIKey

IQPDOPNOTVECJO-XLWJZTARSA-N

Smiles

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 54840ug/kg (54.84mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.67 (none)   EXP
Water Solubility 377 mg/L 25 EST
Vapor Pressure 1.33E-10 mm Hg 25 EST
Henry's Law Constant 1.63E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.37E-11 cm3/molecule-sec 25 EST

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