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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester
RN: 131230-89-2
InChIKey: CLJPJDINAQKALO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3-O4

Molecular Weight

  • 395.4565
 
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Names and Synonyms

Synonym

  • Diethyl 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-3,5-pyridinecarboxylate

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 131230-89-2

System Generated Number

  • 0131230892

Structure Descriptors

InChI

1S/C22H25N3O4/c1-5-28-21(26)18-14(3)24-15(4)19(22(27)29-6-2)20(18)16-8-7-9-17(12-16)25-11-10-23-13-25/h7-13,20,24H,5-6H2,1-4H3

InChIKey

CLJPJDINAQKALO-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)n3ccnc3)C(=O)OCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 2964, 1993.