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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-(3-(trifluoromethyl)phenyl)-
RN: 120354-33-8
InChIKey: ZQLGCEHDBZPDRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-F3-N2-O-S

Molecular Weight

  • 364.3895
 
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Names and Synonyms

Synonym

  • BRN 5997903

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120354-33-8

System Generated Number

  • 0120354338

Structure Descriptors

InChI

1S/C18H15F3N2OS/c19-18(20,21)11-6-4-5-10(9-11)15-22-16(24)14-12-7-2-1-3-8-13(12)25-17(14)23-15/h4-6,9H,1-3,7-8H2,(H,22,23,24)

InChIKey

ZQLGCEHDBZPDRV-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)c2[nH]c3c(c4c(s3)CCCCC4)c(=O)n2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 453, 1988.