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Substance Name: Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide
RN: 31509-25-8
InChIKey: DSMHEOTTYPTFBH-JHQAJZDGSA-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

  • trans-(2,3-Dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethylammonium iodide

Systematic Name

  • Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide

Registry Numbers

CAS Registry Number

  • 31509-25-8

System Generated Number

  • 0031509258

Molecular Formulas

Molecular Formula

  • C12-H18-N-O2.I

Molecular Formula Fragments

  • C12-H18-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

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

InChIKey

DSMHEOTTYPTFBH-JHQAJZDGSA-M

Smiles

c12c([C@H](O)[C@H](O2)C)cccc1[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 361, 1971.