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Substance Name: Oxapropanium iodide [INN]
RN: 541-66-2
UNII: 3F725G9N2A
InChIKey: HQWAEQCLIWVOMF-UHFFFAOYSA-M

Molecular Formulas

  • C7-H16-I-N-O2
  • C7-H16-N-O2.I

Molecular Weight

  • 273.108
 
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Names and Synonyms

Name of Substance

  • Oxapropanium iodide
  • Oxapropanium iodide [INN]

Synonyms

  • (1,3-Dioxolan-4-ylmethyl)trimethylammoniumiodid
  • 2249 F
  • Dilvasene
  • F 2249
  • Formal-gamma-trimethylammonium propanediol
  • gamma-Trimethylammoniumpropanediol iodide
  • Iodure d'oxapropanium
  • Iodure d'oxapropanium [INN-French]
  • Ioduro de oxapropanio
  • Ioduro de oxapropanio [INN-Spanish]
  • N,N,N-Trimethyl-1,3-dioxolane-4-methanaminium iodide
  • Oxapropanii iodidum
  • Oxapropanii iodidum [INN-Latin]
  • Oxapropanium iodide
  • UNII-3F725G9N2A
  • Vasodilatateur 2249F

Systematic Names

  • (1,3-Dioxolan-4-ylmethyl)trimethylammonium iodide
  • 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (9CI)
  • Ammonium, ((1,3-dioxolan-4-yl)methyl)trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 541-66-2

FDA UNII

  • 3F725G9N2A

System Generated Number

  • 0000541662

Molecular Formulas

Molecular Formulas

  • C7-H16-I-N-O2
  • C7-H16-N-O2.I

Molecular Formula Fragments

  • C7-H16-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1

InChIKey

HQWAEQCLIWVOMF-UHFFFAOYSA-M

Smiles

C([C@@H]1COCO1)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 5mg/kg (5mg/kg)   Bulletin de la Societe de Chimie Biologique. Vol. 26, Pg. 516, 1944.
mouse LDLo intravenous 2500ug/kg (2.5mg/kg)   Bulletin de la Societe de Chimie Biologique. Vol. 26, Pg. 516, 1944.
mouse LDLo oral 300mg/kg (300mg/kg)   Bulletin de la Societe de Chimie Biologique. Vol. 26, Pg. 516, 1944.
mouse LDLo subcutaneous 35mg/kg (35mg/kg)   Bulletin de la Societe de Chimie Biologique. Vol. 26, Pg. 516, 1944.
rat LDLo subcutaneous 25mg/kg (25mg/kg)   Bulletin de la Societe de Chimie Biologique. Vol. 26, Pg. 516, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159 deg C   EXP
log P (octanol-water) -3.03E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 4.24E-08 mm Hg 25 EST
Henry's Law Constant 1.06E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.26E-11 cm3/molecule-sec 25 EST

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