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Substance Name: Ammonium, diethyl(4-hydroxy-4-(3-thienyl)butyl)methyl-, iodide
RN: 31648-08-5
InChIKey: GTFSPBSIGMAQBA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-N-O-S.I

Molecular Weight

  • 369.305
 
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Names and Synonyms

Synonym

  • Diethyl(4-hydroxy-4-(3-thienyl)butyl)methylammonium iodide

Systematic Name

  • Ammonium, diethyl(4-hydroxy-4-(3-thienyl)butyl)methyl-, iodide

Registry Numbers

CAS Registry Number

  • 31648-08-5

System Generated Number

  • 0031648085

Molecular Formulas

Molecular Formula

  • C13-H24-N-O-S.I

Molecular Formula Fragments

  • C13-H24-N-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H24NOS.HI/c1-4-14(3,5-2)9-6-7-13(15)12-8-10-16-11-12;/h8,10-11,13,15H,4-7,9H2,1-3H3;1H/q+1;/p-1

InChIKey

GTFSPBSIGMAQBA-UHFFFAOYSA-M

Smiles

[N+](C)(CCC[C@@H](c1cscc1)O)(CC)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   United States Patent Document. Vol. #3894152,