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Substance Name: Ammonium, (2,3-dihydro-2-methyl-3-oxo-7-benzofuranyl)trimethyl-, iodide
RN: 31537-99-2
InChIKey: RGHHLCGHVUSMAL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N-O2.I

Molecular Weight

  • 333.163
 
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Names and Synonyms

Synonyms

  • (2,3-Dihydro-2-methyl-3-oxo-7-benzofuranyl)trimethylammonium iodide
  • 7-Trimethylammonium-2-methylcoumaran-3-one iodide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 31537-99-2

System Generated Number

  • 0031537992

Molecular Formulas

Molecular Formula

  • C12-H16-N-O2.I

Molecular Formula Fragments

  • C12-H16-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H16NO2.HI/c1-8-11(14)9-6-5-7-10(12(9)15-8)13(2,3)4;/h5-8H,1-4H3;1H/q+1;/p-1

InChIKey

RGHHLCGHVUSMAL-UHFFFAOYSA-M

Smiles

c12c(C(=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.