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Substance Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester
RN: 78033-89-3
InChIKey: QASQUEXRFKOCTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3-S

Molecular Weight

  • 400.5402
 
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Names and Synonyms

Synonym

  • BRN 5151259

Systematic Name

  • Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 78033-89-3

System Generated Number

  • 0078033893

Structure Descriptors

InChI

1S/C22H28N2O3S/c1-3-24(4-2)14-15-27-22(26)19-17-12-8-9-13-18(17)28-21(19)23-20(25)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,23,25)

InChIKey

QASQUEXRFKOCTA-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)c1c2c(sc1NC(=O)c3ccccc3)CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 861, 1980.