Kvinaprilat

Hinaprilat
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	82768-85-2^Y
ATC kod	none
UNII	34SSX5LDE5^Y
ChEMBL	CHEMBL1733^Y
Sinonimi	CI-928
Hemijski podaci
Formula	C₂₃H₂₆N₂O₅
Molarna masa	410,47 g·mol⁻¹
SMILES C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O
InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1 Key:FLSLEGPOVLMJMN-YSSFQJQWSA-N^Y

Kvinaprilat je aktivni metabolit kvinaprila.^[1] On je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 410,463 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	8
Particioni koeficijent^[2] (ALogP)	0,1
Rastvorljivost^[3] (logS, log(mol/L))	-5,3
Polarna površina^[4] (PSA, Å²)	106,9

^ Ferry JJ, Horvath AM, Sedman AJ, Latts JR, Colburn WA (1987). „Influence of food on the pharmacokinetics of quinapril and its active diacid metabolite, CI-928”. Journal of clinical pharmacology. 27 (5): 397—399.
^ 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.