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Substance Name: NSC103534
RN: 33022-01-4
InChIKey: XPJOIOLIBUKQBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H14-Cl-N3-O2-S

Molecular Weight

  • 251.737
 
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Names and Synonyms

Results Name

  • NSC103534

Synonyms

  • 1-(2-Chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea
  • BRN 1382266
  • NSC 103534

Systematic Names

  • Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-
  • Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)- (9CI)

Registry Numbers

CAS Registry Number

  • 33022-01-4

System Generated Number

  • 0033022014

Structure Descriptors

InChI

1S/C8H14ClN3O2S/c9-3-4-12(11-14)8(13)10-7-1-5-15-6-2-7/h7H,1-6H2,(H,10,13)

InChIKey

XPJOIOLIBUKQBN-UHFFFAOYSA-N

Smiles

C(N(N=O)CCCl)(NC1CCSCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16970ug/kg (16.97mg/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) 2.07 (none)   EXP
Water Solubility 395 mg/L 25 EST
Vapor Pressure 1.84E-06 mm Hg 25 EST
Henry's Law Constant 1.12E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.73E-11 cm3/molecule-sec 25 EST

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