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Substance Name: 3-Thiazolidineethanol, 2-((5-nitro-2-thiazolyl)imino)-, acetate (ester)
RN: 37427-69-3
InChIKey: KIXJXFRXGDBHEY-ZRDIBKRKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O4-S2

Molecular Weight

  • 316.3608
 
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Names and Synonyms

Synonyms

  • 2-((5-Nitro-2-thiazolyl)imino)-3-thiazolidineethanol acetate
  • 2-(1-(2-Acetoxyaethyl)-1,3-thiazolidinyliden-(2)-amino)-5-nitrothiazol
  • 2-(1-(2-Acetoxyaethyl)-1,3-thiazolidinyliden-(2)-amino)-5-nitrothiazol [German]
  • BRN 5391784

Systematic Name

  • 3-Thiazolidineethanol, 2-((5-nitro-2-thiazolyl)imino)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 37427-69-3

System Generated Number

  • 0037427693

Structure Descriptors

InChI

1S/C10H12N4O4S2/c1-7(15)18-4-2-13-3-5-19-10(13)12-9-11-6-8(20-9)14(16)17/h6H,2-5H2,1H3/b12-10+

InChIKey

KIXJXFRXGDBHEY-ZRDIBKRKSA-N

Smiles

CC(=O)OCCN\1CCS/C1=N/c2ncc(s2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2180mg/kg (2180mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1045, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 1010 mg/L 25 EST
Vapor Pressure 4.15E-08 mm Hg 25 EST
Henry's Law Constant 2.52E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.30E-11 cm3/molecule-sec 25 EST

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