Dekshlorfeniramin

Dekshlorfeniramin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	25523-97-1^Y
ATC kod	R06AB02 (WHO)
PubChem	CID 33036
DrugBank	DB01114^Y
ChemSpider	30576^Y
UNII	3Q9Q0B929N^Y
KEGG	D07803^Y
ChEBI	CHEBI:4464^Y
ChEMBL	CHEMBL1201353^Y
Hemijski podaci
Formula	C₁₆H₁₉ClN₂
Molarna masa	274,788
SMILES CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2
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/t15-/m0/s1^Y Key:SOYKEARSMXGVTM-HNNXBMFYSA-N^Y

Dekshlorfeniramin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 274,788 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,7
Rastvorljivost^[2] (logS, log(mol/L))	-5,0
Polarna površina^[3] (PSA, Å²)	16,1

^ 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.

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.