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Substance Name: Ammonium, (3-hydroxy-3-(2-thienyl)-5-hexenyl)trimethyl-, iodide
RN: 2238-72-4
InChIKey: YOWCTCKYNMEAFE-HAAWTFQLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N-O-S.I

Molecular Weight

  • 367.289
 
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Names and Synonyms

Synonym

  • (3-Hydroxy-3-(2-thienyl)-5-hexenyl)trimethylammonium iodide

Systematic Name

  • Ammonium, (3-hydroxy-3-(2-thienyl)-5-hexenyl)trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 2238-72-4

System Generated Number

  • 0002238724

Molecular Formulas

Molecular Formula

  • C13-H22-N-O-S.I

Molecular Formula Fragments

  • C13-H22-N-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H22NOS.HI/c1-5-8-13(15,9-10-14(2,3)4)12-7-6-11-16-12;/h5-8,11,15H,9-10H2,1-4H3;1H/q+1;/p-1/b8-5+;

InChIKey

YOWCTCKYNMEAFE-HAAWTFQLSA-M

Smiles

c1([C@@](CC[N+](C)(C)C)(\C=C\C)O)cccs1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43500ug/kg (43.5mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 12, Pg. 326, 1965.