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Substance Name: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester, hydrochloride
RN: 41948-70-3
InChIKey: NIPQMCWAOLYAFM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O2.Cl-H

Molecular Weight

  • 215.6786
 
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Names and Synonyms

Synonym

  • 2-Propynyl 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylate hydrochloride

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 41948-70-3

System Generated Number

  • 0041948703

Molecular Formulas

Molecular Formula

  • C10-H13-N-O2.Cl-H

Molecular Formula Fragments

  • C10-H13-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C10H13NO2.ClH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h1,5H,4,6-8H2,2H3;1H

InChIKey

NIPQMCWAOLYAFM-UHFFFAOYSA-N

Smiles

CN1CCC=C(C1)C(=O)OCC#C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 853, 1991.