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Substance Name: Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)
RN: 66968-02-3
InChIKey: ZUCNHOQXODWBGS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N2-O-S.I

Molecular Weight

  • 366.261
 
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Names and Synonyms

Synonyms

  • (3-Mercaptophenyl)trimethylammonium iodide dimethylcarbamate (ester)
  • Ro 2-1837

Systematic Name

  • Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 66968-02-3

System Generated Number

  • 0066968023

Molecular Formulas

Molecular Formula

  • C12-H19-N2-O-S.I

Molecular Formula Fragments

  • C12-H19-N2-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H19N2OS.HI/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1

InChIKey

ZUCNHOQXODWBGS-UHFFFAOYSA-M

Smiles

c1(cc(ccc1)[N+](C)(C)C)SC(N(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 296, 1956.