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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(2-naphthalenyl)-3-butenyl ester, (E)-
RN: 102106-19-4
InChIKey: FTVJQPPBOIJVEH-RMKNXTFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H28-N2-O6

Molecular Weight

  • 512.5592
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 102106-19-4

System Generated Number

  • 0102106194

Structure Descriptors

InChI

1S/C30H28N2O6/c1-19-26(29(33)37-3)28(24-12-8-13-25(18-24)32(35)36)27(20(2)31-19)30(34)38-16-7-6-9-21-14-15-22-10-4-5-11-23(22)17-21/h4-6,8-15,17-18,28,31H,7,16H2,1-3H3/b9-6+

InChIKey

FTVJQPPBOIJVEH-RMKNXTFCSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/c2ccc3ccccc3c2)c4cccc(c4)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 60mg/kg (60mg/kg)   United States Patent Document. Vol. #4672068,