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Substance Name: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester
RN: 116308-53-3
InChIKey: ZGYSUKJCISYROV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H41-F3-N4-O4

Molecular Weight

  • 710.7929
 
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Names and Synonyms

  • (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester

Registry Numbers

CAS Registry Number

  • 116308-53-3

System Generated Number

  • 0116308533

Structure Descriptors

InChI

1S/C41H41F3N4O4/c1-27-34(39(49)50)36(33-16-9-21-45-38(33)41(42,43)44)35(28(2)46-27)40(51)52-26-10-11-29-17-19-32(20-18-29)47-22-24-48(25-23-47)37(30-12-5-3-6-13-30)31-14-7-4-8-15-31/h3-9,12-21,36-37,46H,10-11,22-26H2,1-2H3,(H,49,50)

InChIKey

ZGYSUKJCISYROV-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccnc6C(F)(F)F)C(=O)O

Toxicity

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