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Substance Name: Glyceryl-1,3-dinitrate
RN: 623-87-0
UNII: 3P3G498O9T
InChIKey: ASIGVDLTBLZXNC-UHFFFAOYSA-N

Note

  • See also record for dinitroglycerol.

Classification Codes

  • Cardiovascular Agents
  • Vasodilator Agents

Molecular Formula

  • C3-H6-N2-O7

Molecular Weight

  • 182.087
 
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Names and Synonyms

Name of Substance

  • Glyceryl-1,3-dinitrate

Synonyms

  • 1,2,3-Propanetriol, 1,3-dinitrate
  • 1,3-Dinitroglycerin
  • 1,3-Dng
  • 1,3-Glyceryl dinitrate
  • 2-01-00-00591 (Beilstein Handbook Reference)
  • BRN 1784163
  • UNII-3P3G498O9T

Systematic Names

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

Superlist Names

  • Glycerol-1,3-dinitrate
  • Glycerol-1,3-dinitrate [Forbidden]

Registry Numbers

CAS Registry Number

  • 623-87-0

FDA UNII

  • 3P3G498O9T

System Generated Number

  • 0000623870

Structure Descriptors

InChI

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

InChIKey

ASIGVDLTBLZXNC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 676mg/kg (676mg/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 1065mg/kg (1065mg/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
Melting Point 26 deg C   EXP
log P (octanol-water) 0.71 (none)   EXP
Water Solubility 7.84E+04 mg/L 20 EXP
Vapor Pressure 1.11E-03 mm Hg 25 EST
Henry's Law Constant 3.44E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-12 cm3/molecule-sec 25 EST

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