Natrijum valproat

Natrijum valproat
Klinički podaci


Drugs.com	valproate.html Monografija
Identifikatori
CAS broj	1069-66-5^Y
ATC kod	N03AG01 (WHO)
PubChem	CID 14047
ChemSpider	13428^Y
UNII	5VOM6GYJ0D^Y
KEGG	D00710^Y
ChEBI	CHEBI:9925^Y
ChEMBL	CHEMBL433^Y
Hemijski podaci
Formula	C₈H₁₅NaO₂
Molarna masa	166,193
SMILES [Na+].CCCC(CCC)C(=O)[O-]
InChI InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1^Y Key:AEQFSUDEHCCHBT-UHFFFAOYSA-M^Y

Natrijum valproat je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 166,193 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	1,3
Rastvorljivost^[2] (logS, log(mol/L))	-1,8
Polarna površina^[3] (PSA, Å²)	104,9

^ 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.