Hlorfenamin

Hlorfenamin

Klinički podaci
Prodajno ime	Aller-Chlor, Allergican, Allergisan, Antagonate
Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	21-27 h
Identifikatori
CAS broj	132-22-9^Y
ATC kod	R06AB02 (WHO), R06AB04
PubChem	CID 2725
IUPHAR/BPS	1213
DrugBank	DB01114^Y
ChemSpider	2624^Y
KEGG	C06905^Y
ChEBI	CHEBI:52010^Y
ChEMBL	CHEMBL505^Y
Hemijski podaci
Formula	C16H19ClN2
Molarna masa	274,788
SMILES CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3^Y Key:SOYKEARSMXGVTM-UHFFFAOYSA-N^Y
Fizički podaci
Tačka ključanja	142 °C (288 °F)

Hlorfenamin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 274,788 Da.^[1][2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent[3] (ALogP)	3,7
Rastvorljivost[4] (logS, log(mol/L))	-5,0
Polarna površina[5] (PSA, Å^2)	16,1

Reference

1. 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. 
2. 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. 
3. 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. 
4. 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. 
5. 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. 

Spoljašnje veze

• Chlorphenamine

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