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Substance Name: Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
RN: 66967-82-6
InChIKey: OSCUHEFCIGYHGZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N2-O3.I

Molecular Weight

  • 380.22
 
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Names and Synonyms

Synonyms

  • (2-Hydroxy-3-methoxyphenyl)trimethylammonium iodide dimethylcarbamate (ester)
  • Ro 2-2113

Systematic Name

  • Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 66967-82-6

System Generated Number

  • 0066967826

Molecular Formulas

Molecular Formula

  • C13-H21-N2-O3.I

Molecular Formula Fragments

  • C13-H21-N2-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H21N2O3.HI/c1-14(2)13(16)18-12-10(15(3,4)5)8-7-9-11(12)17-6;/h7-9H,1-6H3;1H/q+1;/p-1

InChIKey

OSCUHEFCIGYHGZ-UHFFFAOYSA-M

Smiles

c1(c(cccc1OC)[N+](C)(C)C)OC(N(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1400ug/kg (1.4mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 295, 1956.