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Substance Name: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride
RN: 85462-88-0
InChIKey: BHTQOAJCXATTMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O6-S.Cl-H

Molecular Weight

  • 457.9722
 
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Names and Synonyms

  • 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 85462-88-0

System Generated Number

  • 0085462880

Molecular Formulas

Molecular Formula

  • C21-H27-N-O6-S.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO6S.ClH/c1-26-16-7-6-13(10-17(16)27-2)8-9-22-11-14(23)12-28-19-15-4-3-5-18(15)29-20(19)21(24)25;/h6-7,10,14,22-23H,3-5,8-9,11-12H2,1-2H3,(H,24,25);1H

InChIKey

BHTQOAJCXATTMY-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CCNCC(COc2c3c(sc2C(=O)O)CCC3)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 62100ug/kg (62.1mg/kg)   Archiv der Pharmazie Vol. 316, Pg. 537, 1983.