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Substance Name: (1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-4-phenyl-3-(2-pyrrolidinyl)ethyl)-
RN: 128368-39-8
InChIKey: XRPYAVAJZMYYBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3-S2

Molecular Weight

  • 395.5925
 
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Names and Synonyms

Synonym

  • BRN 3570823

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128368-39-8

System Generated Number

  • 0128368398

Structure Descriptors

InChI

1S/C22H25N3S2/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/h1-3,8-9H,4-7,10-15H2

InChIKey

XRPYAVAJZMYYBL-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.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Archiv der Pharmazie Vol. 327, Pg. 779, 1994.