Meglumin antimonijat

Meglumin antimonijat
Klinički podaci

Drugs.com	antimoniate.html Monografija
Identifikatori
CAS broj	133-51-7^Y
ATC kod	P01CB01 (WHO) QP51AB01
PubChem	CID 64953
ChemSpider	58479^Y
ChEMBL	CHEMBL239129^Y
Hemijski podaci
Formula	C₇H₂₂NO₈Sb
Molarna masa	370,011
SMILES O.O.[OH-].[Sb+].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI InChI=1S/C7H17NO5.3H2O.Sb.2H/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;;;/h4-13H,2-3H2,1H3;3*1H2;;;/q;;;;+1;;/p-1/t4-,5+,6+,7+;;;;;;/m0....../s1^Y Key:ORRQOYXMLADIBD-CFLOFVGSSA-M^Y

Meglumin antimonijat je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 370,011 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	9
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	-4,1
Rastvorljivost^[2] (logS, log(mol/L))	1,9
Polarna površina^[3] (PSA, Å²)	259,5

^ 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.