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Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methylphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
RN: 116736-23-3
InChIKey: WZVZGGDBECQSQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-Br-N2-O3-S.Cl-H

Molecular Weight

  • 589.979
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116736-23-3

System Generated Number

  • 0116736233

Molecular Formulas

Molecular Formula

  • C28-H29-Br-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C28-H29-Br-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29BrN2O3S.ClH/c1-5-34-28(33)26-24(17-35-20-9-7-6-8-10-20)31(19-13-11-18(2)12-14-19)23-15-22(29)27(32)21(25(23)26)16-30(3)4;/h6-15,32H,5,16-17H2,1-4H3;1H

InChIKey

WZVZGGDBECQSQD-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)c3ccc(cc3)C)CSc4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 860mg/kg (860mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 22, Pg. 383, 1988.