Metrizamid

Metrizamid
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	31112-62-6
ATC kod	V08AB01 (WHO)
PubChem	CID 443944
DrugBank	DB01578
ChemSpider	391998
ChEMBL	CHEMBL1200889
Hemijski podaci
Formula	C18H22I3N3O8
Molarna masa	789,096
	SMILES CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I; ;
	InChI InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1 ; Key:BAQCROVBDNBEEB-UBYUBLNFSA-N ;
Fizički podaci
Tačka topljenja	223 °C (433 °F)

Metrizamid je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 789,096 Da.^[1]^[2]^[3]^[4]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	6
Broj rotacionih veza	5
Particioni koeficijent^[5] (ALogP)	-0,9
Rastvorljivost^[6] (logS, log(mol/L))	-5,4
Polarna površina^[7] (PSA, Å²)	168,7

Reference

^ Azuma, H.; Nomura, S.; Ikoma, Y.; Yokoyama, M.; Oshino, N. (1989). „A possible mechanism for the neural adverse reactions caused by metrizamide”. Fortschritte Auf dem Gebiete der Rontgenstrahlen und der Nuklearmedizin. Erganzungsband. 128: 134—42. PMID 2568781.
^ Ekholm, S. E.; Reece, K.; Coleman, J. R.; Kido, D. K.; Fischer, H. W. (април 1983). „Metrizamide--a potential in vivo inhibitor of glucose metabolism”. Radiology. 147 (1): 119—21. PMID 6828715. doi:10.1148/radiology.147.1.6828715.
^ 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

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

Metrizamide

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

[1] Azuma, H.; Nomura, S.; Ikoma, Y.; Yokoyama, M.; Oshino, N. (1989). „A possible mechanism for the neural adverse reactions caused by metrizamide”. Fortschritte Auf dem Gebiete der Rontgenstrahlen und der Nuklearmedizin. Erganzungsband. 128: 134—42. PMID 2568781.

[2] Ekholm, S. E.; Reece, K.; Coleman, J. R.; Kido, D. K.; Fischer, H. W. (април 1983). „Metrizamide--a potential in vivo inhibitor of glucose metabolism”. Radiology. 147 (1): 119—21. PMID 6828715. doi:10.1148/radiology.147.1.6828715.

[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, 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.

[4] 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.

[5] 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.

[6] 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.

[7] 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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