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Substance Name: Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-
RN: 135718-61-5
InChIKey: GMDGLPZGWSAXOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H21-N3-O3-S2

Molecular Weight

  • 463.5799
 
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Names and Synonyms

Synonym

  • BRN 4340046

Systematic Name

  • Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 135718-61-5

System Generated Number

  • 0135718615

Structure Descriptors

InChI

1S/C24H21N3O3S2/c28-21(15-10-4-5-11-16(15)23(29)30)26-27-20(14-8-2-1-3-9-14)19-17-12-6-7-13-18(17)32-22(19)25-24(27)31/h1-5,8-11,20H,6-7,12-13H2,(H,25,31)(H,26,28)(H,29,30)

InChIKey

GMDGLPZGWSAXOD-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2c3c4c(sc3NC(=S)N2NC(=O)c5ccccc5C(=O)O)CCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 323, 1991.