Bupranolol

Bupranolol

Klinički podaci
Prodajno ime	Adomed, Betadrenol, Ophtorenin
Drugs.com	Monografija
Način primene	Oftalmički, oralno
Farmakokinetički podaci
Poluvreme eliminacije	2-4 h
Identifikatori
CAS broj	23284-25-5^Y
ATC kod	C07AA19 (WHO)
PubChem	CID 2475
IUPHAR/BPS	550
DrugBank	DB08808^Y
ChemSpider	2381^Y
ChEBI	CHEBI:200929^Y
ChEMBL	CHEMBL305380^Y
Hemijski podaci
Formula	C14H22ClNO2
Molarna masa	271,783
SMILES CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3^Y Key:HQIRNZOQPUAHHV-UHFFFAOYSA-N^Y

Bupranolol je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 271,783 Da.^[1][2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent[3] (ALogP)	3,0
Rastvorljivost[4] (logS, log(mol/L))	-4,3
Polarna površina[5] (PSA, Å^2)	41,5

Reference

1. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126. 
2. David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958. 
3. 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. 
4. 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. 
5. 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

• Bupranolol

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