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Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
RN: 116736-25-5
InChIKey: QMFICODDUMCABE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H26-Br2-N2-O3-S.Cl-H

Molecular Weight

  • 654.8483
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116736-25-5

System Generated Number

  • 0116736255

Molecular Formulas

Molecular Formula

  • C27-H26-Br2-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C27-H26-Br2-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H26Br2N2O3S.ClH/c1-4-34-27(33)25-23(16-35-19-8-6-5-7-9-19)31(18-12-10-17(28)11-13-18)22-14-21(29)26(32)20(24(22)25)15-30(2)3;/h5-14,32H,4,15-16H2,1-3H3;1H

InChIKey

QMFICODDUMCABE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 383, 1988.