Ambroksol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Ambroksol

Ambroksol
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	18683-91-5^Y
ATC kod	R05CB06 (WHO)
PubChem	CID 2132
ChemSpider	10276826^Y
UNII	200168S0CL^Y
KEGG	D07442^Y
ChEMBL	CHEMBL153479^Y
Hemijski podaci
Formula	C₁₃H₁₈Br₂N₂O
Molarna masa	378,103
SMILES Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-^Y Key:JBDGDEWWOUBZPM-XYPYZODXSA-N^Y

Ambroksol je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 378,103 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	3
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	2,7
Rastvorljivost^[2] (logS, log(mol/L))	-5,2
Polarna površina^[3] (PSA, Å²)	58,3

^ 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.
^ 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.