Tinabinol

Tinabinol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	50708-95-7^Y
ATC kod	None
PubChem	CID 65443
ChemSpider	58905^Y
Hemijski podaci
Formula	C₂₃H₃₄O₂S
Molarna masa	374,580
SMILES CCCCCC(C)C(C)c1cc(O)c2C3=C(SCCC3)C(C)(C)Oc2c1
InChI InChI=1S/C23H34O2S/c1-6-7-8-10-15(2)16(3)17-13-19(24)21-18-11-9-12-26-22(18)23(4,5)25-20(21)14-17/h13-16,24H,6-12H2,1-5H3^Y Key:YCNTYPIGYVTFBO-UHFFFAOYSA-N^Y

Tinabinol je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 374,580 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	6,8
Rastvorljivost^[2] (logS, log(mol/L))	-7,3
Polarna površina^[3] (PSA, Å²)	54,8

^ 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.