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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methylphenyl)-, ethyl 2-propynyl ester
RN: 39562-66-8
InChIKey: MGRFELFEFOFMSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O4

Molecular Weight

  • 353.4157
 
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Names and Synonyms

Synonym

  • Ethyl 2-propynyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridine dicarboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 39562-66-8

System Generated Number

  • 0039562668

Structure Descriptors

InChI

1S/C21H23NO4/c1-6-12-26-21(24)18-15(5)22-14(4)17(20(23)25-7-2)19(18)16-11-9-8-10-13(16)3/h1,8-11,19,22H,7,12H2,2-5H3

InChIKey

MGRFELFEFOFMSO-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2ccccc2C)C(=O)OCC#C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   United States Patent Document. Vol. #3932646,