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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-
RN: 63937-39-3
InChIKey: MZFGOOZAYYXRBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N2-O4

Molecular Weight

  • 340.377
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrophenethyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-
  • BRN 1042733
  • Isoquinoline, 2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-

Registry Numbers

CAS Registry Number

  • 63937-39-3

System Generated Number

  • 0063937393

Structure Descriptors

InChI

1S/C19H20N2O4/c1-20-9-8-14-10-18-19(25-12-24-18)11-16(14)17(20)7-4-13-2-5-15(6-3-13)21(22)23/h2-3,5-6,10-11,17H,4,7-9,12H2,1H3

InChIKey

MZFGOOZAYYXRBX-UHFFFAOYSA-N

Smiles

c12c(cc3OCOc3c2)CC[N@@]([C@@H]1CCc1ccc([N+](=O)[O-])cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 291, 1965.