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Substance Name: Isoquinoline, 1-benzyl-6,7-dimethoxy-, methanesulfonate
RN: 57542-92-4
InChIKey: BAMQRFNKZKQHST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O2.C-H4-O3-S

Molecular Weight

  • 375.443
 
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Names and Synonyms

Synonym

  • 1-Benzyl-6,7-dimethoxyisoquinoline methanesulfonate

Systematic Name

  • Isoquinoline, 1-benzyl-6,7-dimethoxy-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 57542-92-4

System Generated Number

  • 0057542924

Molecular Formulas

Molecular Formula

  • C18-H17-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H17-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H17NO2.CH4O3S/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13;1-5(2,3)4/h3-9,11-12H,10H2,1-2H3;1H3,(H,2,3,4)

InChIKey

BAMQRFNKZKQHST-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)cc[n+]c1Cc1ccccc1.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 105mg/kg (105mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 19, 1975.