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Substance Name: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride
RN: 85462-89-1
InChIKey: JUVSCQKAHKHICV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O6-S.Cl-H

Molecular Weight

  • 471.999
 
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Names and Synonyms

  • Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 85462-89-1

System Generated Number

  • 0085462891

Molecular Formulas

Molecular Formula

  • C22-H29-N-O6-S.Cl-H

Molecular Formula Fragments

  • C22-H29-N-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO6S.ClH/c1-27-17-8-7-14(11-18(17)28-2)9-10-23-12-15(24)13-29-20-16-5-3-4-6-19(16)30-21(20)22(25)26;/h7-8,11,15,23-24H,3-6,9-10,12-13H2,1-2H3,(H,25,26);1H

InChIKey

JUVSCQKAHKHICV-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CCNCC(COc2c3c(sc2C(=O)O)CCCC3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   Archiv der Pharmazie Vol. 316, Pg. 537, 1983.
mouse LD50 intravenous > 75mg/kg (75mg/kg)   Archiv der Pharmazie Vol. 316, Pg. 537, 1983.