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Substance Name: 1(2H)-Pyridineethanol, 3,6-dihydro-4-(3-indolyl)- oxalate (2:1)
RN: 109793-68-2
InChIKey: NFCGCECDXZVAQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-N4-O2.C2-H2-O4

Molecular Weight

  • 574.6742
 
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Names and Synonyms

Synonyms

  • 1(2H)-Pyridineethanol, 3,6-dihydro-4-(1H-indol-3-yl)-, ethanedioate (2:1) (salt)
  • 4-(3-Indolyl)-3,6-dihydro-1(2H)-pyridineethanol oxalate (2:1)

Systematic Name

  • 1(2H)-Pyridineethanol, 3,6-dihydro-4-(3-indolyl)- oxalate (2:1)

Registry Numbers

CAS Registry Number

  • 109793-68-2

System Generated Number

  • 0109793682

Molecular Formulas

Molecular Formula

  • C30-H36-N4-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C30-H36-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H18N2O.C2H2O4/c2*18-10-9-17-7-5-12(6-8-17)14-11-16-15-4-2-1-3-13(14)15;3-1(4)2(5)6/h2*1-5,11,16,18H,6-10H2;(H,3,4)(H,5,6)

InChIKey

NFCGCECDXZVAQN-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)CCO.c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)CCO.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 33, 1987.