Cefozopran

Cefozopran
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	113359-04-9^Y
ATC kod	J01DE03 (WHO)
PubChem	CID 9571080
ChemSpider	7845546^Y
UNII	1LG87K28LW^Y
KEGG	D01052^Y
ChEMBL	CHEMBL1276663^Y
Hemijski podaci
Formula	C₁₉H₁₇N₉O₅S₂
Molarna masa	515,526
SMILES CO\N=C(/C(=N/[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3ccn4ncccc34)/O)\C5=NC(=N)SN5
InChI InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1^Y Key:QDUIJCOKQCCXQY-WHJQOFBOSA-N^Y

Cefozopran je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 515,526 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	13
Broj donora vodonika	3
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	-0,9
Rastvorljivost^[2] (logS, log(mol/L))	-3,0
Polarna površina^[3] (PSA, Å²)	234,6

^ 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.