Aptazapin

Aptazapin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	71576-41-5^Y
ATC kod	none
PubChem	CID 51355
ChemSpider	46513^Y
UNII	240J927J1R^Y
KEGG	D02972^Y
ChEMBL	CHEMBL336712^Y
Hemijski podaci
Formula	C₁₆H₁₉N₃
Molarna masa	253,342
SMILES CN1CCN2C(C1)c3cccn3Cc4ccccc24
InChI InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3^Y Key:MNHDDERDSNZCCK-UHFFFAOYSA-N^Y

Aptazapin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 253,342 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	2,8
Rastvorljivost^[2] (logS, log(mol/L))	-2,3
Polarna površina^[3] (PSA, Å²)	11,4

^ 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.