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Substance Name: 3-Pyridinecarboxylic acid, 2,9-dimethyl-2,9-dipropyl-1,10-decanediyl ester
RN: 85018-73-1
InChIKey: ZWWLAXNNNYZCBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-N2-O4

Molecular Weight

  • 496.6876
 
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Names and Synonyms

Synonym

  • Nicotinic acid, 2,9-dimethyl-2,9-dipropyldecamethylene ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85018-73-1

System Generated Number

  • 0085018731

Structure Descriptors

InChI

1S/C30H44N2O4/c1-5-15-29(3,23-35-27(33)25-13-11-19-31-21-25)17-9-7-8-10-18-30(4,16-6-2)24-36-28(34)26-14-12-20-32-22-26/h11-14,19-22H,5-10,15-18,23-24H2,1-4H3

InChIKey

ZWWLAXNNNYZCBS-UHFFFAOYSA-N

Smiles

CCCC(C)(CCCCCCC(C)(CCC)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,