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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 4-(4-cyanophenyl)-3-butenyl methyl ester
RN: 102106-25-2
InChIKey: ANWXNFYCBBCFJX-QPJJXVBHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-N3-O6

Molecular Weight

  • 487.5095
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 4-(4-cyanophenyl)-3-butenyl methyl ester

Registry Numbers

CAS Registry Number

  • 102106-25-2

System Generated Number

  • 0102106252

Structure Descriptors

InChI

1S/C27H25N3O6/c1-17-23(26(31)35-3)25(21-8-6-9-22(15-21)30(33)34)24(18(2)29-17)27(32)36-14-5-4-7-19-10-12-20(16-28)13-11-19/h4,6-13,15,25,29H,5,14H2,1-3H3/b7-4+

InChIKey

ANWXNFYCBBCFJX-QPJJXVBHSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/c2ccc(cc2)C#N)c3cccc(c3)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   United States Patent Document. Vol. #4672068,