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Substance Name: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester
RN: 116308-47-5
InChIKey: GJEAGEJISKLAIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H36-N4-O4

Molecular Weight

  • 612.7264
 
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Names and Synonyms

  • (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester

Registry Numbers

CAS Registry Number

  • 116308-47-5

System Generated Number

  • 0116308475

Structure Descriptors

InChI

1S/C38H36N4O4/c1-26-34(37(43)45-3)36(33-22-31(23-39)18-20-40-33)35(27(2)41-26)38(44)46-21-19-28-14-16-32(17-15-28)42(24-29-10-6-4-7-11-29)25-30-12-8-5-9-13-30/h4-18,20,22,36,41H,19,21,24-25H2,1-3H3

InChIKey

GJEAGEJISKLAIS-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCc2ccc(cc2)N(Cc3ccccc3)Cc4ccccc4)c5cc(ccn5)C#N)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4886819,