Bufeksamal : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Bufeksamal

Bufeksamal
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2438-72-4^Y
ATC kod	M01AB17 (WHO) M02AA09
PubChem	CID 2466
ChemSpider	2372^Y
UNII	4T3C38J78L^Y
Hemijski podaci
Formula	C₁₂H₁₇NO₃
Molarna masa	223,268
SMILES CCCCOc1ccc(CC(=O)NO)cc1
InChI InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)^Y Key:MXJWRABVEGLYDG-UHFFFAOYSA-N^Y

Bufeksamal je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 223,268 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA, Å²)	58,6

^ 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.