Cefbuperazon

Cefbuperazon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	76610-84-9^Y
ATC kod	J01DC13 (WHO)
PubChem	CID 127527
ChemSpider	26355342^Y
UNII	T0785J3X40^Y
KEGG	D03423^Y
Hemijski podaci
Formula	C₂₁H₂₇N₉O₉S₂
Molarna masa	613,624
SMILES CCN1CCN(\C(=N\[C@H]([C@H](C)O)\C(=N\[C@]2(O)[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)\O)\O)C(=O)C1=O
InChI InChI=1S/C21H27N9O9S2/c1-4-28-5-6-29(15(34)14(28)33)19(38)22-11(9(2)31)13(32)23-21(39)17(37)30-12(16(35)36)10(7-40-18(21)30)8-41-20-24-25-26-27(20)3/h9,11,18,31,39H,4-8H2,1-3H3,(H,22,38)(H,23,32)(H,35,36)/t9-,11+,18+,21+/m0/s1^Y Key:RMYHXMFWMQQUSC-ZAGCLIOFSA-N^Y

Cefbuperazon je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 613,624 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	16
Broj donora vodonika	5
Broj rotacionih veza	10
Particioni koeficijent^[1] (ALogP)	-1,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,7
Polarna površina^[3] (PSA, Å²)	298,1

^ 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.