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Substance Name: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester, monohydrochloride
RN: 116308-50-0
InChIKey: XIUMJDLWAMKWSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H36-F3-N3-O4.Cl-H

Molecular Weight

  • 692.1743
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116308-50-0

System Generated Number

  • 0116308500

Molecular Formulas

Molecular Formula

  • C38-H36-F3-N3-O4.Cl-H

Molecular Formula Fragments

  • C38-H36-F3-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H36F3N3O4.ClH/c1-25-32(36(45)47-3)34(31-15-10-21-42-35(31)38(39,40)41)33(26(2)43-25)37(46)48-22-20-27-16-18-30(19-17-27)44(23-28-11-6-4-7-12-28)24-29-13-8-5-9-14-29;/h4-19,21,34,43H,20,22-24H2,1-3H3;1H

InChIKey

XIUMJDLWAMKWSP-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCc2ccc(cc2)N(Cc3ccccc3)Cc4ccccc4)c5cccnc5C(F)(F)F)C(=O)OC.Cl

Toxicity

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