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Substance Name: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride
RN: 116308-46-4
InChIKey: MRKBEJXMCROKIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-F3-N3-O4.Cl-H

Molecular Weight

  • 539.9791
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116308-46-4

System Generated Number

  • 0116308464

Molecular Formulas

Molecular Formula

  • C26-H28-F3-N3-O4.Cl-H

Molecular Formula Fragments

  • C26-H28-F3-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H28F3N3O4.ClH/c1-15-20(24(33)35-5)22(19-7-6-13-30-23(19)26(27,28)29)21(16(2)31-15)25(34)36-14-12-17-8-10-18(11-9-17)32(3)4;/h6-11,13,22,31H,12,14H2,1-5H3;1H

InChIKey

MRKBEJXMCROKIR-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCc2ccc(cc2)N(C)C)c3cccnc3C(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,