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Substance Name: 1H-Cyclopent(f)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-3-(3,3-diphenylpropionyl)-
RN: 57612-15-4
InChIKey: XKVHBBWLWNWCJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N-O3

Molecular Weight

  • 441.5679
 
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Names and Synonyms

Synonyms

  • 5,6-Dimethoxy-3-(3,3-diphenylpropionyl)-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline
  • 7,8-Dimethoxy-N-(beta,beta-diphenylpropionyl)-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline
  • BRN 1557717

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57612-15-4

System Generated Number

  • 0057612154

Structure Descriptors

InChI

1S/C29H31NO3/c1-32-28-24-15-9-14-22(24)23-16-17-30(19-26(23)29(28)33-2)27(31)18-25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,25H,9,14-19H2,1-2H3

InChIKey

XKVHBBWLWNWCJV-UHFFFAOYSA-N

Smiles

COc1c2c(c3c(c1OC)CN(CC3)C(=O)CC(c4ccccc4)c5ccccc5)CCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1378, 1977.