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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester
RN: 59880-28-3
InChIKey: LWOKZVKLRPPKCT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F3-N-O4

Molecular Weight

  • 423.4286
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester

Registry Numbers

CAS Registry Number

  • 59880-28-3

System Generated Number

  • 0059880283

Structure Descriptors

InChI

1S/C22H24F3NO4/c1-6-10-29-20(27)17-13(4)26-14(5)18(21(28)30-12(2)3)19(17)15-8-7-9-16(11-15)22(23,24)25/h6-9,11-12,19,26H,1,10H2,2-5H3

InChIKey

LWOKZVKLRPPKCT-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)C(F)(F)F)C(=O)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3932646,