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Substance Name: Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride
RN: 22336-78-3
InChIKey: PKCGKEGIMFRBTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl2-N-O3-S.Cl-H

Molecular Weight

  • 464.839
 
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Names and Synonyms

  • Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 22336-78-3

System Generated Number

  • 0022336783

Molecular Formulas

Molecular Formula

  • C20-H23-Cl2-N-O3-S.Cl-H

Molecular Formula Fragments

  • C20-H23-Cl2-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23Cl2NO3S.ClH/c1-23-8-6-13-10-19(25-2)20(26-3)12-15(13)18(23)7-9-27(24)14-4-5-16(21)17(22)11-14;/h4-5,10-12,18H,6-9H2,1-3H3;1H

InChIKey

PKCGKEGIMFRBTG-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)CC[N@@H+]([C@@H]1CC[S@@](c1cc(c(Cl)cc1)Cl)=O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 575, 1969.