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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)-
RN: 63937-36-0
InChIKey: SIPXVTDBUYGIKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O3

Molecular Weight

  • 326.394
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
  • 5-21-04-00066 (Beilstein Handbook Reference)
  • BRN 1505069
  • Isoquinoline, 6-methoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)-

Registry Numbers

CAS Registry Number

  • 63937-36-0

System Generated Number

  • 0063937360

Structure Descriptors

InChI

1S/C19H22N2O3/c1-20-12-11-15-13-17(24-2)8-9-18(15)19(20)10-5-14-3-6-16(7-4-14)21(22)23/h3-4,6-9,13,19H,5,10-12H2,1-2H3

InChIKey

SIPXVTDBUYGIKR-UHFFFAOYSA-N

Smiles

c12c(cc(OC)cc2)CC[N@@]([C@@H]1CCc1ccc([N+](=O)[O-])cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 291, 1965.