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Substance Name: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-pentyl-, O-methyloxime, monohydrochloride, (E)-
RN: 139886-08-1
InChIKey: VQILMRFMKNFMOQ-RSGUCCNWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H22-N2-O.Cl-H

Molecular Weight

  • 246.7797
 
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Names and Synonyms

Synonym

  • (E)-1-Pentyl-1,2,5,6-tetrahydro-3-pyridinecarboxaldehyde O-methyloxime monohydrochloride

Systematic Name

  • 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-pentyl-, O-methyloxime, monohydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 139886-08-1

System Generated Number

  • 0139886081

Molecular Formulas

Molecular Formula

  • C12-H22-N2-O.Cl-H

Molecular Formula Fragments

  • C12-H22-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H22N2O.ClH/c1-3-4-5-8-14-9-6-7-12(11-14)10-13-15-2;/h7,10H,3-6,8-9,11H2,1-2H3;1H/b13-10+;

InChIKey

VQILMRFMKNFMOQ-RSGUCCNWSA-N

Smiles

CCCCCN1CCC=C(C1)/C=N/OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 175mg/kg (175mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 853, 1991.