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Substance Name: Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate
RN: 61189-94-4
InChIKey: BFHKEYVSEXRSNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O5.C-H4-O3-S

Molecular Weight

  • 465.52
 
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Names and Synonyms

Synonym

  • 6,7-Dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate

Systematic Name

  • Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 61189-94-4

System Generated Number

  • 0061189944

Molecular Formulas

Molecular Formula

  • C21-H23-N-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H23-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO5.CH4O3S/c1-23-17-9-15-12-22-11-14(16(15)10-18(17)24-2)6-13-7-19(25-3)21(27-5)20(8-13)26-4;1-5(2,3)4/h7-12H,6H2,1-5H3;1H3,(H,2,3,4)

InChIKey

BFHKEYVSEXRSNV-UHFFFAOYSA-N

Smiles

c12c(Cc3cc(c(OC)c(c3)OC)OC)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 668mg/kg (668mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.