Tiofentanil

Tiofentanil

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	60771-38-2^Y
ATC kod	none
PubChem	CID 62380
ChemSpider	56168^Y
ChEBI	CHEBI:61099^Y
Hemijski podaci
Formula	C20H26N2OS
Molarna masa	342,498
SMILES CCC(=O)N(C1CCN(CCc2cccs2)CC1)c3ccccc3
InChI InChI=1S/C20H26N2OS/c1-2-20(23)22(17-7-4-3-5-8-17)18-10-13-21(14-11-18)15-12-19-9-6-16-24-19/h3-9,16,18H,2,10-15H2,1H3^Y Key:YMRFZDHYDKZXPA-UHFFFAOYSA-N^Y

Tiofentanil je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 342,498 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent[1] (ALogP)	3,5
Rastvorljivost[2] (logS, log(mol/L))	-5,0
Polarna površina[3] (PSA, Å^2)	51,8

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

• Thiofentanyl