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Substance Name: Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate
RN: 61189-95-5
InChIKey: GDLKKPBIESAWHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N-O4.C-H4-O3-S

Molecular Weight

  • 419.452
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61189-95-5

System Generated Number

  • 0061189955

Molecular Formulas

Molecular Formula

  • C19-H17-N-O4.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H17-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H17NO4.CH4O3S/c1-21-17-7-14-10-20-9-13(15(14)8-18(17)22-2)5-12-3-4-16-19(6-12)24-11-23-16;1-5(2,3)4/h3-4,6-10H,5,11H2,1-2H3;1H3,(H,2,3,4)

InChIKey

GDLKKPBIESAWHJ-UHFFFAOYSA-N

Smiles

c12c(Cc3cc4c(OCO4)cc3)c[n+]cc1cc(OC)c(c2)OC.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 817mg/kg (817mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.
mouse LD50 oral 778mg/kg (778mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.