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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl propyl ester
RN: 86781-09-1
InChIKey: RYNOIKBDZXRVBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O6

Molecular Weight

  • 414.4554
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl propyl ester

Registry Numbers

CAS Registry Number

  • 86781-09-1

System Generated Number

  • 0086781091

Structure Descriptors

InChI

1S/C22H26N2O6/c1-4-10-29-21(25)18-13(2)23-14(3)19(22(26)30-12-15-8-9-15)20(18)16-6-5-7-17(11-16)24(27)28/h5-7,11,15,20,23H,4,8-10,12H2,1-3H3

InChIKey

RYNOIKBDZXRVBG-UHFFFAOYSA-N

Smiles

CCCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC3CC3)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   French Demande Patent Document. Vol. #2514761,