Pirizudanol

Pirizudanol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	33605-94-6^Y
ATC kod	N06BX08 (WHO)
PubChem	CID 65782
UNII	W618Z2SMVL^Y
KEGG	D07347^Y
Hemijski podaci
Formula	C₁₆H₂₄N₂O₆
Molarna masa	340,372
SMILES CN(C)CCOC(=O)CCC(=O)OCc1cnc(C)c(O)c1CO
InChI InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3^Y Key:KTOAWCPDBUCJED-UHFFFAOYSA-N^Y

Pirizudanol je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 340,372 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	2
Broj rotacionih veza	11
Particioni koeficijent^[1] (ALogP)	0,1
Rastvorljivost^[2] (logS, log(mol/L))	-1,7
Polarna površina^[3] (PSA, Å²)	109,2

^ 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.