JWH-018

JWH-018
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	209414-07-3^Y
ATC kod	None
PubChem	CID 10382701
ChemSpider	8558143^Y
ChEMBL	CHEMBL561013^Y
Hemijski podaci
Formula	C₂₄H₂₃NO
Molarna masa	341,446
SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c4ccccc14
InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3^Y Key:JDNLPKCAXICMBW-UHFFFAOYSA-N^Y

Fizički podaci
Rastvorljivost u vodi	hydrophobic, n/a mg/mL (20 °C)

JWH-018 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 341,446 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	6,4
Rastvorljivost^[2] (logS, log(mol/L))	-8,3
Polarna površina^[3] (PSA, Å²)	22,0

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.