Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenemethanol, alpha-(((1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-4-(trifluoromethyl)-, hydrochloride
RN: 116680-76-3
InChIKey: QOAODVHYSVCELN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-F3-N-O3.Cl-H

Molecular Weight

  • 431.8795
 
* 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

Synonym

  • ST 590

Systematic Name

  • Benzenemethanol, alpha-(((1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-4-(trifluoromethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 116680-76-3

System Generated Number

  • 0116680763

Molecular Formulas

Molecular Formula

  • C21-H24-F3-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H24-F3-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24F3NO3.ClH/c1-27-19-10-14-5-8-17(9-15(14)11-20(19)28-2)25-12-18(26)13-3-6-16(7-4-13)21(22,23)24;/h3-4,6-7,10-11,17-18,25-26H,5,8-9,12H2,1-2H3;1H

InChIKey

QOAODVHYSVCELN-UHFFFAOYSA-N

Smiles

COc1cc2c(cc1OC)CC(CC2)NCC(c3ccc(cc3)C(F)(F)F)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #5047433,
mouse LD oral > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #5047433,