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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propynyl ester
RN: 59880-29-4
InChIKey: GGFTZPVBSVZEHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-F-N-O4

Molecular Weight

  • 343.3522
 
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Names and Synonyms

Synonym

  • Methyl 2-propynyl 2,6-dimethyl-4-(2-fluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propynyl ester

Registry Numbers

CAS Registry Number

  • 59880-29-4

System Generated Number

  • 0059880294

Structure Descriptors

InChI

1S/C19H18FNO4/c1-5-10-25-19(23)16-12(3)21-11(2)15(18(22)24-4)17(16)13-8-6-7-9-14(13)20/h1,6-9,17,21H,10H2,2-4H3

InChIKey

GGFTZPVBSVZEHJ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)c2ccccc2F)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   United States Patent Document. Vol. #3932646,