Pirenoksin

Pirenoksin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1043-21-6^Y
ATCvet kod	QS01XA91 (WHO)
PubChem	CID 4846
UNII	27L0EP6IZK^Y
Hemijski podaci
Formula	C₁₆H₈N₂O₅
Molarna masa	308,245
SMILES OC(=O)C1=CC(=O)C2=C(N1)C(=O)C=C3Oc4ccccc4N=C23
InChI InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)^Y Key:OKPNYGAWTYOBFZ-UHFFFAOYSA-N^Y

Pirenoksin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 308,245 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	0,6
Rastvorljivost^[2] (logS, log(mol/L))	-3,5
Polarna površina^[3] (PSA, Å²)	105,1

^ 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.