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Substance Name: Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(3-nitrophenethyl)-
RN: 63938-01-2
InChIKey: XQUJIUXPLNHJMQ-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-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
  • 5-20-07-00535 (Beilstein Handbook Reference)
  • BRN 1434101
  • Isoquinoline, 2-methyl-1-(3-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-(3-nitrophenethyl)-

Registry Numbers

CAS Registry Number

  • 63938-01-2

System Generated Number

  • 0063938012

Structure Descriptors

InChI

1S/C18H24N2O2/c1-19-12-11-15-6-2-3-8-17(15)18(19)10-9-14-5-4-7-16(13-14)20(21)22/h4-5,7,13,18H,2-3,6,8-12H2,1H3

InChIKey

XQUJIUXPLNHJMQ-UHFFFAOYSA-N

Smiles

C=12[C@@H](CCc3cc(ccc3)[N+](=O)[O-])[N@@](CCC1CCCC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 308, 1965.