Spiraprilat

Spiraprilat
Klinički podaci

Drugs.com	Monografija
Identifikatori
UNII	QS56V5Y7EC^Y
ChEMBL	CHEMBL579^Y
Hemijski podaci
Formula	C₂₀H₂₆N₂O₅S₂
Molarna masa	438,561
SMILES C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1^Y Key:FMMDBLMCSDRUPA-BPUTZDHNSA-N^Y

Spiraprilat je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 438,561 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	3
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	-0,3
Rastvorljivost^[2] (logS, log(mol/L))	-4,9
Polarna površina^[3] (PSA, Å²)	157,5

^ 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.