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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-furanyl)-2-propenyl methyl ester
RN: 102106-14-9
InChIKey: HDOAVYJMUWBPSW-UXBLZVDNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-N2-O7

Molecular Weight

  • 438.4338
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-furanyl)-2-propenyl methyl ester

Registry Numbers

CAS Registry Number

  • 102106-14-9

System Generated Number

  • 0102106149

Structure Descriptors

InChI

1S/C23H22N2O7/c1-14-19(22(26)30-3)21(16-7-4-8-17(13-16)25(28)29)20(15(2)24-14)23(27)32-12-6-10-18-9-5-11-31-18/h4-11,13,21,24H,12H2,1-3H3/b10-6+

InChIKey

HDOAVYJMUWBPSW-UXBLZVDNSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/c2ccco2)c3cccc(c3)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 60mg/kg (60mg/kg)   United States Patent Document. Vol. #4672068,