Oksibuprokain

Oksibuprokain

Klinički podaci
Prodajno ime	Benoxil, Cebesine, Conjucain, Conjuncain
Drugs.com	Monografija
Način primene	Oftalmički
Identifikatori
CAS broj	99-43-4^Y
ATC kod	D04AB03 (WHO), S01HA02
PubChem	CID 4633
DrugBank	DB00892^Y
ChemSpider	4472^Y
ChEBI	CHEBI:309594^Y
ChEMBL	CHEMBL1200^Y
Hemijski podaci
Formula	C17H28N2O3
Molarna masa	308,416
SMILES CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
InChI InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3^Y Key:CMHHMUWAYWTMGS-UHFFFAOYSA-N^Y
Fizički podaci
Tačka topljenja	2.165 °C (3.929 °F)

Oksibuprokain je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 308,416 Da.^[1][2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	11
Particioni koeficijent[3] (ALogP)	3,1
Rastvorljivost[4] (logS, log(mol/L))	-3,6
Polarna površina[5] (PSA, Å^2)	64,8

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.  уреди
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.  уреди
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.  уреди
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.  уреди

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

• Oxybuprocaine

Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja).