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Substance Name: (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-5-methyl-2-(3-(trifluoromethyl)phenyl)-
RN: 120354-30-5
InChIKey: MHDPNIFUWMASJI-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 6000604

Systematic Name

  • (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-5-methyl-2-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 120354-30-5

System Generated Number

  • 0120354305

Structure Descriptors

InChI

1S/C18H15F3N2OS/c1-9-4-2-7-12-13(9)14-16(24)22-15(23-17(14)25-12)10-5-3-6-11(8-10)18(19,20)21/h3,5-6,8-9H,2,4,7H2,1H3,(H,22,23,24)

InChIKey

MHDPNIFUWMASJI-UHFFFAOYSA-N

Smiles

CC1CCCc2c1c3c(s2)[nH]c(nc3=O)c4cccc(c4)C(F)(F)F

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.