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Substance Name: 4'-Nitromethopholine
RN: 63937-57-5
UNII: 86JU2L138Q
InChIKey: AWDKLHCXDUACLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O4

Molecular Weight

  • 356.4196
 
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Names and Synonyms

Name of Substance

  • 4'-Nitromethopholine

Synonyms

  • 1-(4-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  • 5-21-05-00281 (Beilstein Handbook Reference)
  • BRN 1556086
  • Isoquinoline, 6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-
  • UNII-86JU2L138Q

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63937-57-5

FDA UNII

  • 86JU2L138Q

System Generated Number

  • 0063937575

Structure Descriptors

InChI

1S/C20H24N2O4/c1-21-11-10-15-12-19(25-2)20(26-3)13-17(15)18(21)9-6-14-4-7-16(8-5-14)22(23)24/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3

InChIKey

AWDKLHCXDUACLM-UHFFFAOYSA-N

Smiles

CN1CCc2cc(c(cc2C1CCc3ccc(cc3)[N+](=O)[O-])OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 290, 1965.