Metronidazol

Metronidazol
Klinički podaci
Prodajno ime	Orvagil, Metronidazol
Drugs.com	Monografija
Način primene	Oralno, intravaginalno, topikalno
Farmakokinetički podaci
Poluvreme eliminacije	6-8 h
Identifikatori
CAS broj	443-48-1
ATC kod	A01AB17 (WHO), P01AB01
PubChem	CID 4173
DrugBank	DB00916
ChemSpider	4029
ChEBI	CHEBI:6909
ChEMBL	CHEMBL137
Hemijski podaci
Formula	C6H9N3O3
Molarna masa	171,154
	SMILES CC1=NC=C(N1CCO)[N+]([O-])=O; ;
	InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 ; Key:VAOCPAMSLUNLGC-UHFFFAOYSA-N ;
Fizički podaci
Tačka topljenja	1.605 °C (2.921 °F)

Metronidazol je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 171,154 Da.^[1]^[2]^[3]^[4]^[5]^[6]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[7] (ALogP)	-0,3
Rastvorljivost^[8] (logS, log(mol/L))	-1,3
Polarna površina^[9] (PSA, Å²)	83,9

Reference

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^ Lamont, R. F. (март 2005). „Can antibiotics prevent preterm birth--the pro and con debate”. BJOG. 112 (Suppl. 1): 67—73. PMID 15715599. doi:10.1111/j.1471-0528.2005.00589.x.
^ Williams CS, Woodcock KR (фебруар 2000). „Do ethanol and metronidazole interact to produce a disulfiram-like reaction? Ann Pharmacother”. The Annals of Pharmacotherapy. 34 (2): 255—7. PMID 10676835. doi:10.1345/aph.19118.
^ Visapaa JP, Tillonen JS, Kaihovaara PS, Salaspuro MP (јун 2002). „Lack of disulfiram-like reaction with metronidazole and ethanol. Ann Pharmacother”. The Annals of Pharmacotherapy. 36 (6): 971—4. PMID 12022894. doi:10.1345/aph.1A066.
^ 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—D1041. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Wishart, David S.; Knox, Craig; Guo, An Chi; Cheng, Dean; Shrivastava, Savita; Tzur, Dan; Gautam, Bijaya; Hassanali, Murtaza (2008). „DrugBank: A knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Research. 36 (Database issue): D901—D906. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (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.