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Substance Name: 4-Pentyn-1-aminium, 5-(1-hydroxycyclohexyl)-N,N,N-triethyl-, iodide
RN: 53310-23-9
InChIKey: DLPLOBRRJFHSMW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H32-N-O.I

Molecular Weight

  • 393.3458
 
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Names and Synonyms

Synonym

  • 5-(1-Hydroxycyclohexyl)-N,N,N-triethyl-4-pentyn-1-aminium iodide

Systematic Name

  • 4-Pentyn-1-aminium, 5-(1-hydroxycyclohexyl)-N,N,N-triethyl-, iodide

Registry Numbers

CAS Registry Number

  • 53310-23-9

System Generated Number

  • 0053310239

Molecular Formulas

Molecular Formula

  • C17-H32-N-O.I

Molecular Formula Fragments

  • C17-H32-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H32NO.HI/c1-4-18(5-2,6-3)16-12-8-11-15-17(19)13-9-7-10-14-17;/h19H,4-10,12-14,16H2,1-3H3;1H/q+1;/p-1

InChIKey

DLPLOBRRJFHSMW-UHFFFAOYSA-M

Smiles

CC[N+](CC)(CC)CCCC#CC1(CCCCC1)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.
mouse LDLo oral 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.