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Substance Name: Isosorbide-2-mononitrate
RN: 16106-20-0
UNII: 21BMF8FI0K
InChIKey: YWXYYJSYQOXTPL-JGWLITMVSA-N

Note

  • For prevention & therapy of angina pectoris.

Molecular Formula

  • C6-H9-N-O6

Molecular Weight

  • 191.138
 
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Names and Synonyms

Name of Substance

  • Isosorbide-2-mononitrate

Synonyms

  • 1,4:3,6-Dianhydro-D-glucitol 2-nitrate
  • 1,4:3,6-Dianhydrosorbitol 2-mononitrate
  • 2-Ismn
  • EINECS 240-271-4
  • Isosorbide 2-mononitrate
  • Isosorbide 2-nitrate
  • UNII-21BMF8FI0K

Systematic Names

  • 1,4:3,6-Dianhydro-D-glucitol 2-nitrate
  • D-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate (9CI)
  • Glucitol, 1,4:3,6-dianhydro-, 2-nitrate, D-

Registry Numbers

CAS Registry Number

  • 16106-20-0

FDA UNII

  • 21BMF8FI0K

System Generated Number

  • 0016106200

Structure Descriptors

InChI

1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey

YWXYYJSYQOXTPL-JGWLITMVSA-N

Smiles

O1[C@H]2[C@@H]([C@H](O[N+](=O)[O-])C1)OC[C@H]2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 1117, 1983.
rat LD50 intravenous 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4947, 1985.
rat LD50 oral 2300mg/kg (2300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 1117, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.4 (none)   EXP
Water Solubility 1.07E+05 mg/L 25 EST
Vapor Pressure 1.23E-04 mm Hg 25 EST
Henry's Law Constant 5.69E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.10E-11 cm3/molecule-sec 25 EST

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