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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
RN: 116308-45-3
InChIKey: XJGALZPBHDIRNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-F3-N3-O4

Molecular Weight

  • 503.5182
 
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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

Registry Numbers

CAS Registry Number

  • 116308-45-3

System Generated Number

  • 0116308453

Structure Descriptors

InChI

1S/C26H28F3N3O4/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

InChIKey

XJGALZPBHDIRNG-UHFFFAOYSA-N

Smiles

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