Metopimazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Metopimazin

Metopimazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	14008-44-7^Y
ATC kod	A04AD05 (WHO)
PubChem	CID 26388
ChemSpider	24584^Y
UNII	238S75V9AV^Y
ChEMBL	CHEMBL398615^Y
Hemijski podaci
Formula	C₂₂H₂₇N₃O₃S₂
Molarna masa	445,598
SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CC4)C(=N)O)c2c1
InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)^Y Key:BQDBKDMTIJBJLA-UHFFFAOYSA-N^Y

Metopimazin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 445,598 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-4,1
Polarna površina^[3] (PSA, Å²)	118,4

^ 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.