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Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-, ethyl ester, monohydrochloride
RN: 141599-49-7
InChIKey: MMXUYJWHRNBPKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-Br-N4-O3-S.Cl-H

Molecular Weight

  • 567.9332
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 141599-49-7

System Generated Number

  • 0141599497

Molecular Formulas

Molecular Formula

  • C24-H27-Br-N4-O3-S.Cl-H

Molecular Formula Fragments

  • C24-H27-Br-N4-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27BrN4O3S.ClH/c1-7-32-24(31)21-19(12-33-23-15(10-26)13(2)8-14(3)27-23)29(6)18-9-17(25)22(30)16(20(18)21)11-28(4)5;/h8-9,30H,7,11-12H2,1-6H3;1H

InChIKey

MMXUYJWHRNBPKQ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3c(c(cc(n3)C)C)C#N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 335mg/kg (335mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Pharmaceutical Chemistry Journal Vol. 26, Pg. 68, 1992.