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Substance Name: D-Glucitol, 1,4:3,6-dianhydro-, 2-(5-fluoro-3-pyridinecarboxylate) 5-nitrate
RN: 135304-12-0
InChIKey: UBZJTFBHSHSATM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-F-N2-O7

Molecular Weight

  • 314.2239
 
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Names and Synonyms

Synonyms

  • 1,4:3,6-Dianhydrosorbitol-5-nitrate-2-(5-fluoronicotinate)
  • Furo(3,2-b)furan, D-glucitol deriv.

Systematic Name

  • D-Glucitol, 1,4:3,6-dianhydro-, 2-(5-fluoro-3-pyridinecarboxylate) 5-nitrate

Registry Numbers

CAS Registry Number

  • 135304-12-0

System Generated Number

  • 0135304120

Structure Descriptors

InChI

1S/C12H11FN2O7/c13-7-1-6(2-14-3-7)12(16)21-8-4-19-11-9(22-15(17)18)5-20-10(8)11/h1-3,8-11H,4-5H2

InChIKey

UBZJTFBHSHSATM-UHFFFAOYSA-N

Smiles

c1c(cncc1F)C(=O)OC2COC3C2OCC3O[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1440mg/kg (1440mg/kg)   Bollettino Chimico Farmaceutico. Vol. 128, Pg. 74, 1989.
mouse LD50 oral 2450mg/kg (2450mg/kg)   Bollettino Chimico Farmaceutico. Vol. 128, Pg. 74, 1989.