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Substance Name: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-
RN: 128352-92-1
InChIKey: QSBIRTGSHAOUPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-S2

Molecular Weight

  • 397.6083
 
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Names and Synonyms

Synonym

  • BRN 3571905

Systematic Name

  • (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 128352-92-1

System Generated Number

  • 0128352921

Structure Descriptors

InChI

1S/C22H27N3S2/c26-22-23-21-19(17-10-4-5-11-18(17)27-21)20(16-8-2-1-3-9-16)25(22)15-14-24-12-6-7-13-24/h1-3,8-9,20H,4-7,10-15H2,(H,23,26)

InChIKey

QSBIRTGSHAOUPB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2c3c4c(sc3NC(=S)N2CCN5CCCC5)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.