Kalcijum dobesilat

Kalcijum dobesilat
Klinički podaci


Drugs.com	dobesilate.html Monografija
Identifikatori
ATC kod	C05BX01 (WHO)
PubChem	CID 29963
ChemSpider	27837^Y
UNII	5921X1560Q^Y
Hemijski podaci
Formula	C₁₂H₁₀CaO₁₀S₂
Molarna masa	418,410
SMILES [Ca+2].Oc1ccc(O)c(c1)S(=O)(=O)O.OS(=O)(=O)c2cc([O-])ccc2[O-]
InChI InChI=1S/2C6H6O5S.Ca/c27-4-1-2-5(8)6(3-4)12(9,10)11;/h21-3,7-8H,(H,9,10,11);/q;;+2/p-2^Y Key:QGNBTYAQAPLTMX-UHFFFAOYSA-L^Y

Kalcijum dobesilat je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 418,410 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	4
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-0,0
Rastvorljivost^[2] (logS, log(mol/L))	-2,2
Polarna površina^[3] (PSA, Å²)	279,1

^ 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.