Compound Selection

Formula: C8H8N2O2

MW: 164.16

 

 

TNP NUMBER: TNP00192

MDL NUMBER: MFCD00171320

IUPAC: 4-methoxy-1-methyl-2-oxohydropyridine-3-carbonitrile

Smiles: c1n(c(c(c(c1)OC)C#N)=O)C

 

 

 

 

 

REFERENCE: Merck 13, 8294 Ferraz AC, et al. Pharmacological evaluation of ricinine, a central nervous system stimulant isolated from Ricinus communis. Pharmacol Biochem Behav. 1999 Jul;63(3):367-75 Ferraz AC, et al. Ricinine-elicited seizures. A novel chemical model of convulsive seizures. Pharmacol Biochem Behav. 2000 Apr;65(4):577-83 Johnson RC, et al. Quantification of ricinine in rat and human urine: a biomarker for ricin exposure. J Anal Toxicol. 2005 Apr;29(3):149-55

SOURCE: From seeds and leaves of the castor plant, Ricinus communis L., Euphorbiaceae

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 1

N+O: 4

Chiral Centers: 0

LogP: 0.32

LogS: -2.78

LIPINSKI: 4

 

 

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management