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Substance Name: 4(3H)-Pyrimidinone, 2-((phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)- trihydrochloride
RN: 89069-58-9
InChIKey: KBFOUHKBHFUBDW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-F3-N2-O-S

Molecular Weight

  • 362.3737
 
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Names and Synonyms

Synonyms

  • 2-((Phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)-4(3H)-pyrimidinone
  • BRN 4559910

Systematic Name

  • 4(3H)-Pyrimidinone, 2-((phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)- trihydrochloride

Registry Numbers

CAS Registry Number

  • 89069-58-9

System Generated Number

  • 0089069589

Structure Descriptors

InChI

1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-9-15(14)23-16(24)10-11-22-17(23)25-12-13-6-2-1-3-7-13/h1-11H,12H2

InChIKey

KBFOUHKBHFUBDW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSc2nccc(=O)n2c3ccccc3C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 789, 1983.
mouse LD50 intravenous 84mg/kg (84mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.