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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester
RN: 53219-40-2
InChIKey: FDTDMXFVIWKZNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-F3-N-O4

Molecular Weight

  • 369.3372
 
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Names and Synonyms

Synonyms

  • 5-22-04-00275 (Beilstein Handbook Reference)
  • BRN 0450407

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 53219-40-2

System Generated Number

  • 0053219402

Structure Descriptors

InChI

1S/C18H18F3NO4/c1-9-13(16(23)25-3)15(14(10(2)22-9)17(24)26-4)11-7-5-6-8-12(11)18(19,20)21/h5-8,15,22H,1-4H3

InChIKey

FDTDMXFVIWKZNB-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2C(F)(F)F)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Pharmaceutical Chemistry Journal Vol. 16, Pg. 817, 1982.