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Substance Name: 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester
RN: 85018-76-4
InChIKey: ULADXLXAXAYJKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H42-N2-O4

Molecular Weight

  • 482.6608
 
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Names and Synonyms

Synonym

  • Nicotinic acid, 2,10-diethyl-2,10-dimethylundecamethylene ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester

Registry Numbers

CAS Registry Number

  • 85018-76-4

System Generated Number

  • 0085018764

Structure Descriptors

InChI

1S/C29H42N2O4/c1-5-28(3,22-34-26(32)24-14-12-18-30-20-24)16-10-8-7-9-11-17-29(4,6-2)23-35-27(33)25-15-13-19-31-21-25/h12-15,18-21H,5-11,16-17,22-23H2,1-4H3

InChIKey

ULADXLXAXAYJKQ-UHFFFAOYSA-N

Smiles

CCC(C)(CCCCCCCC(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,