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Substance Name: Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethyl-, (Z)-, iodide
RN: 31509-22-5
InChIKey: VVKWIAXBUFKNOF-YFUGSSCLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N-O2.I

Molecular Weight

  • 335.179
 
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Names and Synonyms

Synonym

  • cis-(2,3-Dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethylammonium iodide

Systematic Name

  • Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethyl-, (Z)-, iodide

Registry Numbers

CAS Registry Number

  • 31509-22-5

System Generated Number

  • 0031509225

Molecular Formulas

Molecular Formula

  • C12-H18-N-O2.I

Molecular Formula Fragments

  • C12-H18-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H18NO2.HI/c1-8-12(14)10-7-9(13(2,3)4)5-6-11(10)15-8;/h5-8,12,14H,1-4H3;1H/q+1;/p-1/t8-,12+;/m1./s1

InChIKey

VVKWIAXBUFKNOF-YFUGSSCLSA-M

Smiles

c12c(O[C@@H]([C@@H]2O)C)ccc(c1)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 361, 1971.