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Substance Name: 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
RN: 53310-19-3
InChIKey: JFYCKWUNTNUXMB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H30-N-O.I

Molecular Weight

  • 367.308
 
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Names and Synonyms

Synonym

  • 6-Hydroxy-6-methyl-N,N,N-triethyl-4-octyn-1-aminium iodide

Systematic Name

  • 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide

Registry Numbers

CAS Registry Number

  • 53310-19-3

System Generated Number

  • 0053310193

Molecular Formulas

Molecular Formula

  • C15-H30-N-O.I

Molecular Formula Fragments

  • C15-H30-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C15H30NO.HI/c1-6-15(5,17)13-11-10-12-14-16(7-2,8-3)9-4;/h17H,6-10,12,14H2,1-5H3;1H/q+1;/p-1

InChIKey

JFYCKWUNTNUXMB-UHFFFAOYSA-M

Smiles

[N+](CCCC#C[C@@](CC)(C)O)(CC)(CC)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.
mouse LD50 intravenous 39mg/kg (39mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.