Metoklopramid

Metoklopramid
Klinički podaci
Prodajno ime	Apo-Metoclop, Cerucal, Clopra, Clopra-Yellow
Drugs.com	Monografija
Način primene	Intramaskularno, intravenozno, oralno
Farmakokinetički podaci
Poluvreme eliminacije	5-6 h
Izlučivanje	Renalno, 85%
Identifikatori
CAS broj	364-62-5
ATC kod	A03FA01 (WHO)
PubChem	CID 4168
IUPHAR/BPS	241
DrugBank	DB01233
ChemSpider	4024
KEGG	C07868
ChEBI	CHEBI:107736
ChEMBL	CHEMBL86
Hemijski podaci
Formula	C14H22ClN3O2
Molarna masa	299,796
	SMILES CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC; ;
	InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) ; Key:TTWJBBZEZQICBI-UHFFFAOYSA-N ;
Fizički podaci
Tačka topljenja	14.725 °C (26.537 °F)

Metoklopramid je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 299,796 Da.^[1]^[2]^[3]^[4]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[5] (ALogP)	1,8
Rastvorljivost^[6] (logS, log(mol/L))	-3,3
Polarna površina^[7] (PSA, Å²)	67,6

Reference

^ JUSTIN-BESANCON L, LAVILLE C: [ANTIEMETIC ACTION OF METOCLOPRAMIDE WITH RESPECT TO APOMORPHINE AND HYDERGINE.] C R Seances Soc Biol Fil. JUSTIN-BESANCON, L.; LAVILLE, C (1964). „Antiemetic Action of Metoclopramide with Respect to Apomorphine and Hydergine”. Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 158: 723—7. PMID 14186927.
^ Tonini M, Candura SM, Messori E, Rizzi CA: Therapeutic potential of drugs with mixed 5-HT4 agonist/5-HT3 antagonist action in the control of emesis. Pharmacol Res. Tonini, M.; Candura, S. M.; Messori, E.; Rizzi, C. A. (мај 1995). „Therapeutic potential of drugs with mixed 5-HT4 agonist/5-HT3 antagonist action in the control of emesis”. Pharmacological Research. 31 (5): 257—60. PMID 7479521. doi:10.1016/1043-6618(95)80029-8.
^ 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, Peter; Rohde, Bernhard; Selzer, Paul (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.