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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, dimethyl ester
RN: 84761-74-0
InChIKey: INGJKWQSKFALNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-F2-N-O6-S

Molecular Weight

  • 415.4111
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 84761-74-0

System Generated Number

  • 0084761740

Structure Descriptors

InChI

1S/C18H19F2NO6S/c1-9-13(16(22)26-3)15(14(10(2)21-9)17(23)27-4)11-7-5-6-8-12(11)28(24,25)18(19)20/h5-8,15,18,21H,1-4H3

InChIKey

INGJKWQSKFALNA-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2S(=O)(=O)C(F)F)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 49mg/kg (49mg/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.