JWH-398 : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

JWH-398

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

1292765-18-4

nije dodeljen

Hemijski podaci

Formula

C₂₄H₂₂ClNO

Mol. masa

375,891

SMILES

eMolekuli & PubHem

InChI
InChI=1S/C24H22ClNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3 Key: IUWBHGFOHXVVKV-UHFFFAOYSA-N^Y

Farmakoinformacioni podaci

Trudnoća

Pravni status

JWH-398 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 375,891 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	7,1
Rastvorljivost^[2] (logS, log(mol/L))	-9,0
Polarna površina^[3] (PSA, Å²)	22,0

↑ Ghose, A.K., Viswanadhan V.N., and 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. DOI:10.1021/ci000392t. PMID 11749573.
↑ 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. DOI:10.1021/jm000942e. PMID 11020286.

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.