Ceftobiprol

Ceftobiprol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	209467-52-7^Y
ATC kod	J01DI01 (WHO)
PubChem	CID 6918430
ChemSpider	21106277^Y
UNII	5T97333YZK^Y
KEGG	D08885^Y
ChEMBL	CHEMBL520642^Y
Hemijski podaci
Formula	C₂₀H₂₂N₈O₆S₂
Molarna masa	534,569
SMILES OC(=O)C1=C(CS[C@@H]2[C@H](\N=C(/O)\C(=C\3/NSC(=N)N3)\N=O)C(=O)N12)\C=C\4/CCN([C@@H]5CCNC5)C4=O
InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,26H,1-4,6-7H2,(H2,21,24)(H,23,29)(H,32,33)/b8-5+,14-11+/t10-,12-,18-/m1/s1^Y Key:LXLDMYXULSBRCX-KOGKARRDSA-N^Y

Ceftobiprol je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 534,569 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	13
Broj donora vodonika	6
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	-3,3
Rastvorljivost^[2] (logS, log(mol/L))	-2,2
Polarna površina^[3] (PSA, Å²)	250,5

^ 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.