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Substance Name: 3-Pyridinecarboxylic acid, 2,2,7,7-tetramethyl-1,8-octanediyl ester
RN: 85018-57-1
InChIKey: PLZXEUNKJCGCIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O4

Molecular Weight

  • 412.5268
 
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Names and Synonyms

Synonym

  • Nicotinic acid, 2,2,7,7-tetramethyloctamethylene ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,2,7,7-tetramethyl-1,8-octanediyl ester

Registry Numbers

CAS Registry Number

  • 85018-57-1

System Generated Number

  • 0085018571

Structure Descriptors

InChI

1S/C24H32N2O4/c1-23(2,17-29-21(27)19-9-7-13-25-15-19)11-5-6-12-24(3,4)18-30-22(28)20-10-8-14-26-16-20/h7-10,13-16H,5-6,11-12,17-18H2,1-4H3

InChIKey

PLZXEUNKJCGCIX-UHFFFAOYSA-N

Smiles

CC(C)(CCCCC(C)(C)COC(=O)c1cccnc1)COC(=O)c2cccnc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Patent Application. Vol. #0064286,
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0064286,