Bucindolol

Bucindolol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	71119-11-4^Y
ATC kod	none
PubChem	CID 51045
ChemSpider	46266^Y
UNII	E9UO06K7CE^Y
Hemijski podaci
Formula	C₂₂H₂₅N₃O₂
Molarna masa	363,453
SMILES CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc3ccccc3C#N
InChI InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3^Y Key:FBMYKMYQHCBIGU-UHFFFAOYSA-N^Y

Bucindolol je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 363,453 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	3
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	3,6
Rastvorljivost^[2] (logS, log(mol/L))	-6,2
Polarna površina^[3] (PSA, Å²)	81,1

^ 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.

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.