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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methoxyphenyl)-, methyl 2-propynyl ester
RN: 59880-25-0
InChIKey: POUFQQJKLZTNPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O5

Molecular Weight

  • 355.3879
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59880-25-0

System Generated Number

  • 0059880250

Structure Descriptors

InChI

1S/C20H21NO5/c1-6-11-26-20(23)17-13(3)21-12(2)16(19(22)25-5)18(17)14-9-7-8-10-15(14)24-4/h1,7-10,18,21H,11H2,2-5H3

InChIKey

POUFQQJKLZTNPN-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)c2ccccc2OC)C(=O)OC

Toxicity

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