Nikorandil : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Nikorandil

Nikorandil
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	65141-46-0^Y
ATC kod	C01DX16 (WHO)
PubChem	CID 47528
IUPHAR/BPS	2411
ChemSpider	43240^Y
UNII	260456HAM0^Y
KEGG	D01810^Y
ChEMBL	CHEMBL284906^Y
Hemijski podaci
Formula	C₈H₉N₃O₄
Molarna masa	211,175
SMILES O\C(=N/CCO[N+](=O)[O-])\c1cccnc1
InChI InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)^Y Key:LBHIOVVIQHSOQN-UHFFFAOYSA-N^Y

Nikorandil je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 211,175 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-2,6
Polarna površina^[3] (PSA, Å²)	100,5

^ 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.