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Substance Name: 1H-Cyclopent(f)isoquinoline, 2,3,4,7,8,9-hexahydro-3-(3,4-dimethoxybenzyl)-5,6-dimethoxy-, hydrochloride
RN: 57612-21-2
InChIKey: FYABDUVBIVNTJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O4.Cl-H

Molecular Weight

  • 419.946
 
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Names and Synonyms

Synonym

  • 7,8-Dimethoxy-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline HCl

Systematic Name

  • 1H-Cyclopent(f)isoquinoline, 2,3,4,7,8,9-hexahydro-3-(3,4-dimethoxybenzyl)-5,6-dimethoxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 57612-21-2

System Generated Number

  • 0057612212

Molecular Formulas

Molecular Formula

  • C23-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO4.ClH/c1-25-20-9-8-15(12-21(20)26-2)13-24-11-10-17-16-6-5-7-18(16)22(27-3)23(28-4)19(17)14-24;/h8-9,12H,5-7,10-11,13-14H2,1-4H3;1H

InChIKey

FYABDUVBIVNTJH-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CN2CCc3c4c(c(c(c3C2)OC)OC)CCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 141mg/kg (141mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1378, 1977.