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Substance Name: 4-Pentyn-1-aminium, N,N-diethyl-N,3-dimethyl-3-hydroxy-, iodide
RN: 37029-96-2
InChIKey: PDIOTMRJTVEAAQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N-O.I

Molecular Weight

  • 311.201
 
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Names and Synonyms

Synonym

  • N,N-Diethyl-N,3-dimethyl-3-hydroxy-4-pentyn-1-aminium iodide

Systematic Name

  • 4-Pentyn-1-aminium, N,N-diethyl-N,3-dimethyl-3-hydroxy-, iodide

Registry Numbers

CAS Registry Number

  • 37029-96-2

System Generated Number

  • 0037029962

Molecular Formulas

Molecular Formula

  • C11-H22-N-O.I

Molecular Formula Fragments

  • C11-H22-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H22NO.HI/c1-6-11(4,13)9-10-12(5,7-2)8-3;/h1,13H,7-10H2,2-5H3;1H/q+1;/p-1

InChIKey

PDIOTMRJTVEAAQ-UHFFFAOYSA-M

Smiles

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

Toxicity

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