Cetraksat : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Cetraksat

Cetraksat
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	34675-84-8^Y
ATC kod	none
PubChem	CID 2680
ChemSpider	2579^Y
UNII	5VPA8CPF0N^Y
KEGG	D07663^Y
ChEMBL	CHEMBL502896^Y
Hemijski podaci
Formula	C₁₇H₂₃NO₄
Molarna masa	305,369
SMILES NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)O)cc2
InChI InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)^Y Key:FHRSHSOEWXUORL-UHFFFAOYSA-N^Y

Cetraksat je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 305,369 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	0,2
Rastvorljivost^[2] (logS, log(mol/L))	-4,0
Polarna površina^[3] (PSA, Å²)	89,6

^ 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.