Ketorolak : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Ketorolak

Ketorolak
Klinički podaci


Prodajno ime	Acular, Acular LS, Acular Preservative Free, Toradol
Drugs.com	Monografija
Način primene	Intramaskularno, oftalmički, oralno
Farmakokinetički podaci
Poluvreme eliminacije	2,5 h
Izlučivanje	Fekalno

Identifikatori
CAS broj	66635-83-4^Y
ATC kod	M01AB15 (WHO), S01BC05
PubChem	CID 3826
DrugBank	DB00465^Y
ChemSpider	3694^Y
KEGG	C07062^Y
ChEMBL	CHEMBL469^Y
Hemijski podaci
Formula	C₁₅H₁₃NO₃
Molarna masa	255,269
SMILES OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)^Y Key:OZWKMVRBQXNZKK-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	165—167 °C (329—333 °F)

Ketorolak je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 255,269 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[3] (ALogP)	2,8
Rastvorljivost^[4] (logS, log(mol/L))	-3,5
Polarna površina^[5] (PSA, Å²)	59,3

^ 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.
^ 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.
^ 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.