Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
RN: 116736-24-4
InChIKey: YQDBTISBRZUTQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-Br-N2-O4-S.Cl-H

Molecular Weight

  • 605.978
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116736-24-4

System Generated Number

  • 0116736244

Molecular Formulas

Molecular Formula

  • C28-H29-Br-N2-O4-S.Cl-H

Molecular Formula Fragments

  • C28-H29-Br-N2-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29BrN2O4S.ClH/c1-5-35-28(33)26-24(17-36-20-9-7-6-8-10-20)31(18-11-13-19(34-4)14-12-18)23-15-22(29)27(32)21(25(23)26)16-30(2)3;/h6-15,32H,5,16-17H2,1-4H3;1H

InChIKey

YQDBTISBRZUTQE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 22, Pg. 383, 1988.