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Substance Name: 4-Hexyn-1-aminium, 6-hydroxy-N,N,N-triethyl-, iodide
RN: 53310-17-1
InChIKey: XSWFFNHWCXUGQR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N-O.I

Molecular Weight

  • 325.228
 
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Names and Synonyms

Synonym

  • 6-Hydroxy-N,N,N-triethyl-4-hexyn-1-aminium iodide

Systematic Name

  • 4-Hexyn-1-aminium, 6-hydroxy-N,N,N-triethyl-, iodide

Registry Numbers

CAS Registry Number

  • 53310-17-1

System Generated Number

  • 0053310171

Molecular Formulas

Molecular Formula

  • C12-H24-N-O.I

Molecular Formula Fragments

  • C12-H24-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H24NO.HI/c1-4-13(5-2,6-3)11-9-7-8-10-12-14;/h14H,4-7,9,11-12H2,1-3H3;1H/q+1;/p-1

InChIKey

XSWFFNHWCXUGQR-UHFFFAOYSA-M

Smiles

[N+](CCCC#CCO)(CC)(CC)CC.[IH-]

Toxicity

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