Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinecarboxylic acid, 2,11-diethyl-2,11-dimethyl-1,12-dodecanediyl ester
RN: 85018-80-0
InChIKey: CIQQRGTUFQALBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-N2-O4

Molecular Weight

  • 496.6876
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Nicotinic acid, 2,11-diethyl-2,11-dimethyldodecamethylene ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,11-diethyl-2,11-dimethyl-1,12-dodecanediyl ester

Registry Numbers

CAS Registry Number

  • 85018-80-0

System Generated Number

  • 0085018800

Structure Descriptors

InChI

1S/C30H44N2O4/c1-5-29(3,23-35-27(33)25-15-13-19-31-21-25)17-11-9-7-8-10-12-18-30(4,6-2)24-36-28(34)26-16-14-20-32-22-26/h13-16,19-22H,5-12,17-18,23-24H2,1-4H3

InChIKey

CIQQRGTUFQALBP-UHFFFAOYSA-N

Smiles

CCC(C)(CCCCCCCCC(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,