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Substance Name: Glyceryl-1,2-dinitrate
RN: 621-65-8
UNII: 8542I4GE54
InChIKey: GFVHBTOOPNJKLV-UHFFFAOYSA-N

Note

  • Metabolite of glyceryl trinitrate.

Molecular Formula

  • C3-H6-N2-O7

Molecular Weight

  • 182.087
 
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Names and Synonyms

Name of Substance

  • Glyceryl-1,2-dinitrate

Synonyms

  • 1,2-Dinitroglycerin
  • 1-01-00-00272 (Beilstein Handbook Reference)
  • BRN 1788957
  • Glyceryl 1,2-dinitrate
  • UNII-8542I4GE54

Systematic Names

  • 1,2,3-Propanetriol, 1,2-dinitrate (9CI)
  • Glycerol, 1,2-dinitrate

Registry Numbers

CAS Registry Number

  • 621-65-8

FDA UNII

  • 8542I4GE54

System Generated Number

  • 0000621658

Structure Descriptors

InChI

1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2

InChIKey

GFVHBTOOPNJKLV-UHFFFAOYSA-N

Smiles

[N+](O[C@@H](CO[N+]([O-])=O)CO)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1221mg/kg (1221mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Technical Information Service. Vol. AD-B011-150,
rat LD50 oral 1423mg/kg (1423mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Technical Information Service. Vol. AD-B011-150,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.83 (none)   EXP
Water Solubility 1.05E+04 mg/L 25 EST
Vapor Pressure 7.66E-04 mm Hg 25 EST
Henry's Law Constant 3.44E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-12 cm3/molecule-sec 25 EST

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