Mizolastin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Mizolastin

Mizolastin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	108612-45-9^Y
ATC kod	R06AX25 (WHO)
PubChem	CID 65906
UNII	244O1F90NA^Y
KEGG	D01117^Y
ChEMBL	CHEMBL94454^Y
Hemijski podaci
Formula	C₂₄H₂₅FN₆O
Molarna masa	432,493
SMILES CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)C5=NC=CC(=O)N5
InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)^Y Key:PVLJETXTTWAYEW-UHFFFAOYSA-N^Y

Mizolastin je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 432,493 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,3
Rastvorljivost^[2] (logS, log(mol/L))	-5,4
Polarna površina^[3] (PSA, Å²)	65,8

^ 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.