11-Hidroksi-THC

11-Hidroksi-THC

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	36557-05-8^Y
ATC kod	None
PubChem	CID 37482
ChemSpider	34385^Y
Hemijski podaci
Formula	C21H30O3
Molarna masa	330,461
SMILES CCCCCc1cc(O)c2C3C=C(CO)CCC3C(C)(C)Oc2c1
InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3^Y Key:YCBKSSAWEUDACY-UHFFFAOYSA-N^Y

11-Hidroksi-THC je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 330,461 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent[1] (ALogP)	5,0
Rastvorljivost[2] (logS, log(mol/L))	-5,5
Polarna površina[3] (PSA, Å^2)	49,7

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• 11-Hydroxy-THC