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Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride
RN: 141599-50-0
InChIKey: UALSWMGQDUTJLB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Br-N2-O3-S2.Cl-H

Molecular Weight

  • 519.9096
 
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Names and Synonyms

  • 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 141599-50-0

System Generated Number

  • 0141599500

Molecular Formulas

Molecular Formula

  • C20-H23-Br-N2-O3-S2.Cl-H

Molecular Formula Fragments

  • C20-H23-Br-N2-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23BrN2O3S2.ClH/c1-5-26-20(25)18-16(11-28-12-6-7-27-10-12)23(4)15-8-14(21)19(24)13(17(15)18)9-22(2)3;/h6-8,10,24H,5,9,11H2,1-4H3;1H

InChIKey

UALSWMGQDUTJLB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccsc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49mg/kg (49mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Pharmaceutical Chemistry Journal Vol. 26, Pg. 68, 1992.