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Substance Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((phenylacetyl)amino)-, ethyl ester
RN: 76981-75-4
InChIKey: SMVVWGMRLUECQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O3-S

Molecular Weight

  • 357.4717
 
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Names and Synonyms

Synonym

  • BRN 5609012

Systematic Name

  • Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((phenylacetyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 76981-75-4

System Generated Number

  • 0076981754

Structure Descriptors

InChI

1S/C20H23NO3S/c1-3-24-20(23)18-15-10-9-13(2)11-16(15)25-19(18)21-17(22)12-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,21,22)

InChIKey

SMVVWGMRLUECQX-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c2c(sc1NC(=O)Cc3ccccc3)CC(CC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 413, 1980.