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Substance Name: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 3-methylbutyl ester
RN: 114915-08-1
InChIKey: GEDMPZWZRZRIKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-F2-N2-O4

Molecular Weight

  • 382.4046
 
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Names and Synonyms

Synonym

  • BRN 5632675

Systematic Name

  • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 3-methylbutyl ester

Registry Numbers

CAS Registry Number

  • 114915-08-1

System Generated Number

  • 0114915081

Structure Descriptors

InChI

1S/C19H24F2N2O4/c1-11(2)9-10-26-17(24)15-12(3)23(4)19(25)22-16(15)13-7-5-6-8-14(13)27-18(20)21/h5-8,11,16,18H,9-10H2,1-4H3,(H,22,25)

InChIKey

GEDMPZWZRZRIKR-UHFFFAOYSA-N

Smiles

CC1=C(C(NC(=O)N1C)c2ccccc2OC(F)F)C(=O)OCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 571, 1987.