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Substance Name: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-
RN: 87752-94-1
InChIKey: KBHXDARXJGVERJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-N2-O-S

Molecular Weight

  • 296.3924
 
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Names and Synonyms

Synonym

  • 1,5,6,7,8,9-Hexahydro-2-phenyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one

Systematic Name

  • 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-

Registry Numbers

CAS Registry Number

  • 87752-94-1

System Generated Number

  • 0087752941

Structure Descriptors

InChI

1S/C17H16N2OS/c20-16-14-12-9-5-2-6-10-13(12)21-17(14)19-15(18-16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,19,20)

InChIKey

KBHXDARXJGVERJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2[nH]c3c(c4c(s3)CCCCC4)c(=O)n2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 420, 1984.