Talinolol

Talinolol
Identifikacija

CAS broj	38649-73-9^Y
3D model (Jmol)	interaktivna slika
ChemSpider	62014^Y
ECHA InfoCard	100.228.618
PubChem^[1]^[2] C ID	68770
UNII	3S82268BKG^Y

SMILES CC(C)(C)NCC(O)COc1ccc(N\C(=N\C2CCCCC2)\O)cc1
Svojstva
Hemijska formula	C₂₀H₃₃N₃O₃
Molarna masa	363,494
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
Reference infokutije

Talinolol je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 363,494 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	4
Broj rotacionih veza	9
Particioni koeficijent^[3] (ALogP)	3,5
Rastvorljivost^[4] (logS, log(mol/L))	-5,3
Polarna površina^[5] (PSA, Å²)	86,1

Talinolol sadrži stereocentar i sastoji se od dva enantiomera. Ovo je racemat, tj. Smjesa od 1: 1 ( R ) i ( S ) - oblik:^[6]

Enantiomeri talinolola
CAS-Nummer: 71369-60-3	CAS-Nummer: 71369-59-0

^ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди
^ Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.
^ 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.
^ 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.
^ F. v. Bruchhausen, G. Dannhardt, S. Ebel, A. W. Frahm, E. Hackenthal, U. Holzgrabe (Hrsg.): Hagers Handbuch der Pharmazeutischen Praxis: Band 9: Stoffe P-Z, Springer Verlag, Berlin, Aufl. 5, 2014, S. 767, ISBN 978-3-642-63389-8.

Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.