Dazoprid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Dazoprid

Dazoprid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	70181-03-2^Y
ATC kod	none
PubChem	CID 54801
ChemSpider	49487^Y
UNII	CV07VSP2G8^Y
Hemijski podaci
Formula	C₁₅H₂₃ClN₄O₂
Molarna masa	326,822
SMILES CCN1CC(CN1CC)NC(=O)c2cc(Cl)c(N)cc2OC
InChI InChI=1S/C15H23ClN4O2/c1-4-19-8-10(9-20(19)5-2)18-15(21)11-6-12(16)13(17)7-14(11)22-3/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21)^Y Key:YFXIKEZOBJFVAQ-UHFFFAOYSA-N^Y

Dazoprid je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 326,822 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	0,9
Rastvorljivost^[2] (logS, log(mol/L))	-2,1
Polarna površina^[3] (PSA, Å²)	70,8

^ 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.