Miroprofen

Miroprofen

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	55843-86-2^Y
ATC kod	none
PubChem	CID 68752
ChemSpider	61997^Y
UNII	S00I5XG484^Y
Sinonimi	Antopen; BRN 0888858; NSC 261037; Ro 07-0582; Y 9213; 2-[4-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl]propanoic acid
Hemijski podaci
Formula	C16H14N2O2
Molarna masa	266,295
SMILES CC(C(=O)O)c1ccc(cc1)c2cn3ccccc3n2
InChI InChI=1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20)^Y Key:OJGQFYYLKNCIJD-UHFFFAOYSA-N^Y

Miroprofen je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 266,295 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	2,6
Rastvorljivost[2] (logS, log(mol/L))	-3,8
Polarna površina[3] (PSA, Å^2)	54,6

Reference

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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• Miroprofen