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Substance Name: 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((diphenylacetyl)amino)-,ethyl ester
RN: 112302-59-7
InChIKey: OSBTTWWJGOGMCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-N2-O3-S

Molecular Weight

  • 446.5684
 
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Names and Synonyms

Synonyms

  • 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine
  • BRN 5778592

Systematic Name

  • 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((diphenylacetyl)amino)-,ethyl ester

Registry Numbers

CAS Registry Number

  • 112302-59-7

System Generated Number

  • 0112302597

Structure Descriptors

InChI

1S/C26H26N2O3S/c1-2-31-26(30)22-21-19-13-15-28(16-14-19)25(21)32-24(22)27-23(29)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,27,29)

InChIKey

OSBTTWWJGOGMCX-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c2c(sc1NC(=O)C(c3ccccc3)c4ccccc4)N5CCC2CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 568, 1987.