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Substance Name: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,pentyl ester
RN: 121112-78-5
InChIKey: KQAGKWAFHFUPNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-F2-N2-O4

Molecular Weight

  • 368.3778
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121112-78-5

System Generated Number

  • 0121112785

Structure Descriptors

InChI

1S/C18H22F2N2O4/c1-3-4-7-10-25-16(23)14-11(2)21-18(24)22-15(14)12-8-5-6-9-13(12)26-17(19)20/h5-6,8-9,15,17H,3-4,7,10H2,1-2H3,(H2,21,22,24)

InChIKey

KQAGKWAFHFUPNJ-UHFFFAOYSA-N

Smiles

CCCCCOC(=O)C1=C(NC(=O)NC1c2ccccc2OC(F)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 213, 1989.