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Substance Name: Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate
RN: 65872-81-3
InChIKey: YFKYVTSQMSDASF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-F-N3-O2.H2-O

Molecular Weight

  • 371.4098
 
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Names and Synonyms

Synonym

  • 6-Butyrylamino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone hydrate

Systematic Name

  • Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 65872-81-3

System Generated Number

  • 0065872813

Molecular Formulas

Molecular Formula

  • C20-H20-F-N3-O2.H2-O

Molecular Formula Fragments

  • C20-H20-F-N3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H20FN3O2.H2O/c1-3-6-19(25)22-14-9-10-16-15(11-14)20(26)24(18(12-21)23-16)17-8-5-4-7-13(17)2;/h4-5,7-11H,3,6,12H2,1-2H3,(H,22,25);1H2

InChIKey

YFKYVTSQMSDASF-UHFFFAOYSA-N

Smiles

CCCC(=O)Nc1ccc2c(c1)c(=O)n(c(n2)CF)c3ccccc3C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 27, Pg. 2675, 1979.