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Substance Name: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride
RN: 139885-99-7
InChIKey: RGITVBKQVUEHHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O2.Cl-H

Molecular Weight

  • 201.6518
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 139885-99-7

System Generated Number

  • 0139885997

Molecular Formulas

Molecular Formula

  • C9-H11-N-O2.Cl-H

Molecular Formula Fragments

  • C9-H11-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H11NO2.ClH/c1-2-6-12-9(11)8-4-3-5-10-7-8;/h1,4,10H,3,5-7H2;1H

InChIKey

RGITVBKQVUEHHB-UHFFFAOYSA-N

Smiles

C#CCOC(=O)C1=CCCNC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 853, 1991.