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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl ethyl ester
RN: 86781-08-0
InChIKey: CPTAPSBUEKYLSW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O6

Molecular Weight

  • 400.4286
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 86781-08-0

System Generated Number

  • 0086781080

Structure Descriptors

InChI

1S/C21H24N2O6/c1-4-28-20(24)17-12(2)22-13(3)18(21(25)29-11-14-8-9-14)19(17)15-6-5-7-16(10-15)23(26)27/h5-7,10,14,19,22H,4,8-9,11H2,1-3H3

InChIKey

CPTAPSBUEKYLSW-UHFFFAOYSA-N

Smiles

CCOC(=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,