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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(phenylmethyl)-, diethyl ester
RN: 72284-55-0
InChIKey: XRNJUVCTBDDFEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N2-O6

Molecular Weight

  • 464.5152
 
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Names and Synonyms

Synonym

  • BRN 0463015

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72284-55-0

System Generated Number

  • 0072284550

Structure Descriptors

InChI

1S/C26H28N2O6/c1-5-33-25(29)22-17(3)27(16-19-11-8-7-9-12-19)18(4)23(26(30)34-6-2)24(22)20-13-10-14-21(15-20)28(31)32/h7-15,24H,5-6,16H2,1-4H3

InChIKey

XRNJUVCTBDDFEP-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(N(C(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C)Cc3ccccc3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4700mg/kg (4700mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 23, 1984.