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Substance Name: Phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)
RN: 83010-53-1
InChIKey: DAPNDNFTIBAMPM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O2.C2-H2-O4

Molecular Weight

  • 496.6004
 
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Names and Synonyms

Synonyms

  • 3-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)phenol ethanedioate (2:1) (salt)
  • 3-(1-Ethyl-1,2,5,6-tetrahydropyridin-3-yl)phenol oxalate

Systematic Name

  • Phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 83010-53-1

System Generated Number

  • 0083010531

Molecular Formulas

Molecular Formula

  • C26-H34-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H34-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H17NO.C2H2O4/c2*1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11;3-1(4)2(5)6/h2*3,5-7,9,15H,2,4,8,10H2,1H3;(H,3,4)(H,5,6)

InChIKey

DAPNDNFTIBAMPM-UHFFFAOYSA-N

Smiles

CCN1CCC=C(C1)c2cccc(c2)O.CCN1CCC=C(C1)c2cccc(c2)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 400mg/kg (400mg/kg)   British UK Patent Application. Vol. #2092132,