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Substance Name: Isoquinoline, 4-(3,4-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate
RN: 61189-91-1
InChIKey: XKBZAQHBLDGTCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl2-N-O2.C-H4-O3-S

Molecular Weight

  • 444.333
 
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Names and Synonyms

Synonym

  • 4-(3,4-Dichlorobenzyl)-6,7-dimethoxyisoquinoline methanesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61189-91-1

System Generated Number

  • 0061189911

Molecular Formulas

Molecular Formula

  • C18-H15-Cl2-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H15-Cl2-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H15Cl2NO2.CH4O3S/c1-22-17-7-13-10-21-9-12(14(13)8-18(17)23-2)5-11-3-4-15(19)16(20)6-11;1-5(2,3)4/h3-4,6-10H,5H2,1-2H3;1H3,(H,2,3,4)

InChIKey

XKBZAQHBLDGTCE-UHFFFAOYSA-N

Smiles

c12c(Cc3cc(c(Cl)cc3)Cl)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 714mg/kg (714mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.