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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, methyl 1-methylethyl ester
RN: 50698-13-0
InChIKey: LSEHFIJWPIWAGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O6

Molecular Weight

  • 388.4176
 
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Names and Synonyms

Synonym

  • Isopropyl methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, methyl 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 50698-13-0

System Generated Number

  • 0050698130

Structure Descriptors

InChI

1S/C20H24N2O6/c1-11(2)28-20(24)17-13(4)21(5)12(3)16(19(23)27-6)18(17)14-8-7-9-15(10-14)22(25)26/h7-11,18H,1-6H3

InChIKey

LSEHFIJWPIWAGJ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1C)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])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. #3920823,