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Substance Name: Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate
RN: 61189-93-3
InChIKey: AAHDTBUXPGQCEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N-O4.C-H4-O3-S

Molecular Weight

  • 435.495
 
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Names and Synonyms

Synonym

  • 6,7-Dimethoxy-4-(3,4-dimethoxybenzyl)isoquinoline methanesulfonate

Systematic Name

  • Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 61189-93-3

System Generated Number

  • 0061189933

Molecular Formulas

Molecular Formula

  • C20-H22-N-O4.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H22-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO4.CH4O3S/c1-22-17-6-5-13(8-18(17)23-2)7-14-11-21-12-15-9-19(24-3)20(25-4)10-16(14)15;1-5(2,3)4/h5-6,8-12H,7H2,1-4H3;1H3,(H,2,3,4)

InChIKey

AAHDTBUXPGQCEJ-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)c[n+]cc1Cc1cc(c(OC)cc1)OC.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.
mouse LD50 oral 1923mg/kg (1923mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.