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Substance Name: 3-Pyridinecarboxylic acid, 2,9-dibutyl-2,9-dimethyl-1,10-decanediyl ester
RN: 85018-74-2
InChIKey: YEJCYWKMGMZXQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H48-N2-O4

Molecular Weight

  • 524.7412
 
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Names and Synonyms

Synonym

  • Nicotinic acid, 2,9-dibutyl-2,9-dimethyldecamethylene ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,9-dibutyl-2,9-dimethyl-1,10-decanediyl ester

Registry Numbers

CAS Registry Number

  • 85018-74-2

System Generated Number

  • 0085018742

Structure Descriptors

InChI

1S/C32H48N2O4/c1-5-7-17-31(3,25-37-29(35)27-15-13-21-33-23-27)19-11-9-10-12-20-32(4,18-8-6-2)26-38-30(36)28-16-14-22-34-24-28/h13-16,21-24H,5-12,17-20,25-26H2,1-4H3

InChIKey

YEJCYWKMGMZXQQ-UHFFFAOYSA-N

Smiles

CCCCC(C)(CCCCCCC(C)(CCCC)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,