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Substance Name: Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(4-nitrophenethyl)-
RN: 63938-02-3
InChIKey: NHZSGFPRDZNUNP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N2-O2

Molecular Weight

  • 300.4
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
  • 5-20-07-00535 (Beilstein Handbook Reference)
  • BRN 4149541
  • Isoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-

Systematic Name

  • Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(4-nitrophenethyl)-

Registry Numbers

CAS Registry Number

  • 63938-02-3

System Generated Number

  • 0063938023

Structure Descriptors

InChI

1S/C18H24N2O2/c1-19-13-12-15-4-2-3-5-17(15)18(19)11-8-14-6-9-16(10-7-14)20(21)22/h6-7,9-10,18H,2-5,8,11-13H2,1H3

InChIKey

NHZSGFPRDZNUNP-UHFFFAOYSA-N

Smiles

C=12[C@@H](CCc3ccc([N+](=O)[O-])cc3)[N@@](CCC1CCCC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 190mg/kg (190mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 308, 1965.