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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, ethyl 1-methylethyl ester
RN: 50698-14-1
InChIKey: JVEDSTHJIRQFLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O6

Molecular Weight

  • 402.4444
 
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Names and Synonyms

Synonym

  • Ethyl isopropyl 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-, ethyl 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 50698-14-1

System Generated Number

  • 0050698141

Structure Descriptors

InChI

1S/C21H26N2O6/c1-7-28-20(24)17-13(4)22(6)14(5)18(21(25)29-12(2)3)19(17)15-9-8-10-16(11-15)23(26)27/h8-12,19H,7H2,1-6H3

InChIKey

JVEDSTHJIRQFLR-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(N(C(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3920823,