Klemastin

Klemastin
Klinički podaci


Prodajno ime	Meclastin, Mecloprodin, Tavist, Tavist-1
Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Izlučivanje	Renalno

Identifikatori
CAS broj	15686-51-8^Y
ATC kod	R06AA04 (WHO), D04AA14
PubChem	CID 26987
DrugBank	DB00283^Y
ChemSpider	25129^Y
ChEBI	CHEBI:3738^Y
ChEMBL	CHEMBL1626^Y
Hemijski podaci
Formula	C₂₁H₂₆ClNO
Molarna masa	343,890
SMILES CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1^Y Key:YNNUSGIPVFPVBX-NHCUHLMSSA-N^Y

Fizički podaci
Tačka topljenja	178 °C (352 °F)

Klemastin je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 343,890 Da.^[1]^[2]^[3]^[4]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[5] (ALogP)	4,8
Rastvorljivost^[6] (logS, log(mol/L))	-6,5
Polarna površina^[7] (PSA, Å²)	12,5

Reference

^ Hayashi, H.; Okajima, M.; Yamada, K. (1976). „Atrial T (Ta) loop in dogs with or without atrial injury”. American Heart Journal. 91 (5): 607—17. PMID 1266718. doi:10.1016/s0002-8703(76)80146-9.
^ Schran, H. F.; Petryk, L.; Chang, C. T.; O'Connor, R.; Gelbert, M. B. (1996). „The pharmacokinetics and bioavailability of clemastine and phenylpropanolamine in single-component and combination formulations”. Journal of Clinical Pharmacology. 36 (10): 911—22. PMID 8930778. S2CID 23835974. doi:10.1002/j.1552-4604.1996.tb04758.x.
^ 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.

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.