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Substance Name: 1(2H)-Pyridinepropanol, 3,6-dihydro-4-(5-chloro-3-indolyl)-, oxalate (2:1)
RN: 109793-74-0
InChIKey: UXCYJLIRTBYDDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H38-Cl2-N4-O2.C2-H2-O4

Molecular Weight

  • 671.618
 
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Names and Synonyms

Synonyms

  • 1(2H)-Pyridinepropanol, 3,6-dihydro-4-(5-chloro-1H-indol-3-yl)-, ethanedioate (2:1) (salt)
  • 3,6-Dihydro-4-(5-chloro-3-indolyl)-1(2H)-pyridinepropanol oxalate (2:1)

Systematic Name

  • 1(2H)-Pyridinepropanol, 3,6-dihydro-4-(5-chloro-3-indolyl)-, oxalate (2:1)

Registry Numbers

CAS Registry Number

  • 109793-74-0

System Generated Number

  • 0109793740

Molecular Formulas

Molecular Formula

  • C32-H38-Cl2-N4-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C32-H38-Cl2-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H19ClN2O.C2H2O4/c2*17-13-2-3-16-14(10-13)15(11-18-16)12-4-7-19(8-5-12)6-1-9-20;3-1(4)2(5)6/h2*2-4,10-11,18,20H,1,5-9H2;(H,3,4)(H,5,6)

InChIKey

UXCYJLIRTBYDDF-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)c(c[nH]2)C3=CCN(CC3)CCCO.c1cc2c(cc1Cl)c(c[nH]2)C3=CCN(CC3)CCCO.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg) BEHAVIORAL: REGIDITY European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 33, 1987.