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Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
RN: 116736-22-2
InChIKey: BISSVKKTJONYIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H27-Br-N2-O3-S.Cl-H

Molecular Weight

  • 575.9522
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116736-22-2

System Generated Number

  • 0116736222

Molecular Formulas

Molecular Formula

  • C27-H27-Br-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C27-H27-Br-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H27BrN2O3S.ClH/c1-4-33-27(32)25-23(17-34-19-13-9-6-10-14-19)30(18-11-7-5-8-12-18)22-15-21(28)26(31)20(24(22)25)16-29(2)3;/h5-15,31H,4,16-17H2,1-3H3;1H

InChIKey

BISSVKKTJONYIK-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)c3ccccc3)CSc4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 383, 1988.