Pimetiksen : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pimetiksen

Pimetiksen
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	314-03-4^Y
ATC kod	R06AX23 (WHO)
PubChem	CID 4822
ChemSpider	4656^Y
UNII	T46J20J26F^Y
KEGG	D07406^Y
ChEMBL	CHEMBL152408^Y
Hemijski podaci
Formula	C₁₉H₁₉NS
Molarna masa	293,426
SMILES CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1
InChI InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3^Y Key:NZLVRVYNQYGMAB-UHFFFAOYSA-N^Y

Pimetiksen je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 293,426 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	4,5
Rastvorljivost^[2] (logS, log(mol/L))	-5,1
Polarna površina^[3] (PSA, Å²)	28,5

^ 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.