Gadobutrol

Gadobutrol
Klinički podaci
Prodajno ime	Gadavist, Gadovist
Drugs.com	Monografija
Način primene	Intravenozno
Farmakokinetički podaci
Poluvreme eliminacije	1,8 h
Izlučivanje	Renalno
Identifikatori
CAS broj	138071-82-6
ATC kod	V08CA09 (WHO)
PubChem	CID 72057
DrugBank	DB06703
ChEBI	CHEBI:68841
ChEMBL	CHEMBL1628503
Hemijski podaci
Formula	C18H31N4O9
Molarna masa	604,710
	SMILES [Gd+3].OC[C@@H](O)[C@@H](CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1; ;
	InChI InChI=1/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/s2 ; Key:ZPDFIIGFYAHNSK-ZCTZICQLNA-K ;

Gadobutrol je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 604,710 Da.^[1]^[2]^[3]^[4]^[5]

Osobine уреди

Osobina	Vrednost
Broj akceptora vodonika	13
Broj donora vodonika	3
Broj rotacionih veza	10
Particioni koeficijent^[6] (ALogP)	-7,0
Rastvorljivost^[7] (logS, log(mol/L))	3,0
Polarna površina^[8] (PSA, Å²)	244,3

Reference уреди

^ Scott, Lesley J. (2013). „Gadobutrol: A Review of Its Use for Contrast-Enhanced Magnetic Resonance Imaging in Adults and Children”. Clinical Drug Investigation. 33 (4): 303—314. PMID 23435930. S2CID 207483597. doi:10.1007/s40261-013-0066-0.
^ Wack, Christiane; Steger-Hartmann, Thomas; Mylecraine, Louis; Hofmeister, Rainer (2012). „Toxicological Safety Evaluation of Gadobutrol”. Investigative Radiology. 47 (11): 611—623. PMID 23011188. S2CID 10146613. doi:10.1097/RLI.0b013e318263f128.
^ Künnemeyer, Jens; Terborg, Lydia; Nowak, Sascha; Scheffer, Andy; Telgmann, Lena; Tokmak, Faruk; Günsel, Andreas; Wiesmüller, Gerhard; Reichelt, Stephan; Karst, Uwe (2008). „Speciation Analysis of Gadolinium-Based MRI Contrast Agents in Blood Plasma by Hydrophilic Interaction Chromatography/Electrospray Mass Spectrometry”. Analytical Chemistry. 80 (21): 8163—8170. PMID 18821778. doi:10.1021/ac801264j.
^ 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, A. C.; Wishart, D. S. (2011). „DrugBank 3.0: A comprehensive resource for 'omics' research on drugs”. Nucleic Acids Research. 39 (Database issue): D1035—41. PMC 3013709  . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. (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, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (2001). „Estimation of aqueous solubility of chemical compounds using E-state indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Literatura уреди

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 уреди

Gadobutrol

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u vezi sa temama iz oblasti medicine (zdravlja).

[1] Scott, Lesley J. (2013). „Gadobutrol: A Review of Its Use for Contrast-Enhanced Magnetic Resonance Imaging in Adults and Children”. Clinical Drug Investigation. 33 (4): 303—314. PMID 23435930. S2CID 207483597. doi:10.1007/s40261-013-0066-0.

[2] Wack, Christiane; Steger-Hartmann, Thomas; Mylecraine, Louis; Hofmeister, Rainer (2012). „Toxicological Safety Evaluation of Gadobutrol”. Investigative Radiology. 47 (11): 611—623. PMID 23011188. S2CID 10146613. doi:10.1097/RLI.0b013e318263f128.

[3] Künnemeyer, Jens; Terborg, Lydia; Nowak, Sascha; Scheffer, Andy; Telgmann, Lena; Tokmak, Faruk; Günsel, Andreas; Wiesmüller, Gerhard; Reichelt, Stephan; Karst, Uwe (2008). „Speciation Analysis of Gadolinium-Based MRI Contrast Agents in Blood Plasma by Hydrophilic Interaction Chromatography/Electrospray Mass Spectrometry”. Analytical Chemistry. 80 (21): 8163—8170. PMID 18821778. doi:10.1021/ac801264j.

[4] 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, A. C.; Wishart, D. S. (2011). „DrugBank 3.0: A comprehensive resource for 'omics' research on drugs”. Nucleic Acids Research. 39 (Database issue): D1035—41. PMC 3013709  . PMID 21059682. doi:10.1093/nar/gkq1126.

[5] Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. (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.

[6] 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.

[7] Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (2001). „Estimation of aqueous solubility of chemical compounds using E-state indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.

[8] 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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

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