Pardoprunoks

Pardoprunoks
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	269718-84-5^Y
ATC kod	none
PubChem	CID 6918524
ChemSpider	5293721^Y
UNII	5R72CHP32S^Y
Hemijski podaci
Formula	C₁₂H₁₆ClN₃O₂
Molarna masa	269,727
SMILES Cl.CN1CCN(CC1)c2cccc3NC(=O)Oc23
InChI InChI=1S/C12H15N3O2.ClH/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9;/h2-4H,5-8H2,1H3,(H,13,16);1H^Y Key:NQRIKTDKFHAOKC-UHFFFAOYSA-N^Y

Pardoprunoks je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 269,727 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,8
Rastvorljivost^[2] (logS, log(mol/L))	-0,2
Polarna površina^[3] (PSA, Å²)	44,8

^ 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.