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Substance Name: Glutaric acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-
RN: 52320-85-1
InChIKey: AJQMCEMSWCGRRN-YFKPBYRVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H12-Cl-N3-O6

Molecular Weight

  • 281.651
 
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Names and Synonyms

Synonyms

  • 2-(3-(2-Chloroethyl)-3-nitrosoureido)glutaric acid
  • L-Glutamic acid, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
  • NSC 163478

Systematic Names

  • Glutaric acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-
  • L-Glutamic acid, N-(((2-chloroethyl)nitrosoamino)carbonyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 52320-85-1

System Generated Number

  • 0052320851

Structure Descriptors

InChI

1S/C8H12ClN3O6/c9-3-4-12(11-18)8(17)10-5(7(15)16)1-2-6(13)14/h5H,1-4H2,(H,10,17)(H,13,14)(H,15,16)/t5-/m0/s1

InChIKey

AJQMCEMSWCGRRN-YFKPBYRVSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 259mg/kg (259mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1095, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.6 (none)   EXP
Water Solubility 4820 mg/L 25 EST
Vapor Pressure 2.01E-09 mm Hg 25 EST
Henry's Law Constant 1.98E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-11 cm3/molecule-sec 25 EST

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