Pruvanserin

Pruvanserin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	443144-26-1^Y
ATC kod	none
PubChem	CID 6433122
ChemSpider	4938310^Y
UNII	UL09X1D9EM^Y
ChEMBL	CHEMBL1215661^Y
Hemijski podaci
Formula	C₂₂H₂₁FN₄O
Molarna masa	376,427
SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c3cccc4c(c[nH]c34)C#N)cc1
InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2^Y Key:AQRLDDAFYYAIJP-UHFFFAOYSA-N^Y

Pruvanserin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 376,427 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-4,9
Polarna površina^[3] (PSA, Å²)	63,1

^ 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.