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Substance Name: 3-Pyridinecarboxylic acid, 2,9-diethyl-2,9-dimethyl-1,10-decanediyl ester
RN: 85018-72-0
InChIKey: SKAAODHMQLCJRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H40-N2-O4

Molecular Weight

  • 468.634
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85018-72-0

System Generated Number

  • 0085018720

Structure Descriptors

InChI

1S/C28H40N2O4/c1-5-27(3,21-33-25(31)23-13-11-17-29-19-23)15-9-7-8-10-16-28(4,6-2)22-34-26(32)24-14-12-18-30-20-24/h11-14,17-20H,5-10,15-16,21-22H2,1-4H3

InChIKey

SKAAODHMQLCJRG-UHFFFAOYSA-N

Smiles

CCC(C)(CCCCCCC(C)(CC)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,