Pirprofen : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pirprofen

Pirprofen
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	31793-07-4^Y
ATC kod	M01AE08 (WHO)
PubChem	CID 35935
ChemSpider	33051^Y
UNII	T7KN291890^Y
KEGG	D05515^Y
ChEMBL	CHEMBL188952^Y
Hemijski podaci
Formula	C₁₃H₁₄ClNO₂
Molarna masa	251,709
SMILES CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
InChI InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)^Y Key:PIDSZXPFGCURGN-UHFFFAOYSA-N^Y

Pirprofen je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 251,709 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-3,5
Polarna površina^[3] (PSA, Å²)	40,5

^ 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.