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Substance Name: 3-Pyridinecarboxylic acid, 2,2,8,8-tetramethyl-1,9-nonanediyl ester
RN: 85018-59-3
InChIKey: ZVMYFLWZFFFZEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O4

Molecular Weight

  • 426.5536
 
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Names and Synonyms

Synonym

  • Nicotinic acid, 2,2,8,8-tetramethylnonamethylene ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,2,8,8-tetramethyl-1,9-nonanediyl ester

Registry Numbers

CAS Registry Number

  • 85018-59-3

System Generated Number

  • 0085018593

Structure Descriptors

InChI

1S/C25H34N2O4/c1-24(2,18-30-22(28)20-10-8-14-26-16-20)12-6-5-7-13-25(3,4)19-31-23(29)21-11-9-15-27-17-21/h8-11,14-17H,5-7,12-13,18-19H2,1-4H3

InChIKey

ZVMYFLWZFFFZEF-UHFFFAOYSA-N

Smiles

CC(C)(CCCCCC(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,