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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-, hydrochloride
RN: 63937-55-3
InChIKey: XCNYTGVCVIZWBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O4.Cl-H

Molecular Weight

  • 378.854
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrobenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • Isoquinoline, 6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-1,2,3,4-tetrahydro-, hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63937-55-3

System Generated Number

  • 0063937553

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O4.Cl-H

Molecular Formula Fragments

  • C19-H22-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2O4.ClH/c1-20-9-8-14-11-18(24-2)19(25-3)12-16(14)17(20)10-13-4-6-15(7-5-13)21(22)23;/h4-7,11-12,17H,8-10H2,1-3H3;1H

InChIKey

XCNYTGVCVIZWBO-UHFFFAOYSA-N

Smiles

c12[C@@H](Cc3ccc([N+](=O)[O-])cc3)[N@@H+](CCc1cc(OC)c(c2)OC)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 82mg/kg (82mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 294, 1965.