Stibofen

Stibofen
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	23940-36-5^Y
ATC kod	P02BX03 (WHO)
PubChem	CID 16683091
Hemijski podaci
Formula	C₁₂H₄Na₅O₁₆S₄Sb
Molarna masa	769,119
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[O-]c1c(O[Sb]2Oc3cc(cc(c3O2)S(=O)(=O)[O-])S(=O)(=O)[O-])cc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI InChI=1S/2C6H6O8S2.5Na.Sb/c27-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;/h21-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;/q;;5*+1;+3/p-8^Y Key:DZFMIYUMNRPCAB-UHFFFAOYSA-F^Y

Stibofen je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 769,119 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	16
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	-9,3
Rastvorljivost^[2] (logS, log(mol/L))	0,2
Polarna površina^[3] (PSA, Å²)	636,8

^ 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.