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Substance Name: Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
RN: 41712-62-3
InChIKey: KDCYOWUMMCQWCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N

Molecular Weight

  • 255.402
 
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Names and Synonyms

Synonyms

  • 1-Phenethyl-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
  • 5-20-07-00535 (Beilstein Handbook Reference)
  • BRN 1245897
  • Isoquinoline, 2-methyl-1-phenethyl-1,2,3,4,5,6,7,8-octahydro-

Systematic Name

  • Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-

Registry Numbers

CAS Registry Number

  • 41712-62-3

System Generated Number

  • 0041712623

Structure Descriptors

InChI

1S/C18H25N/c1-19-14-13-16-9-5-6-10-17(16)18(19)12-11-15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-14H2,1H3

InChIKey

KDCYOWUMMCQWCJ-UHFFFAOYSA-N

Smiles

C=12[C@@H](CCc3ccccc3)[N@@](CCC1CCCC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 220mg/kg (220mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 308, 1965.