Flomoksef

Flomoksef
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	99665-00-6^Y
ATC kod	J01DC14 (WHO)
PubChem	CID 65864
UNII	V9E5U5XF42^Y
KEGG	D07963^Y
ChEMBL	CHEMBL15413^Y
Hemijski podaci
Formula	C₁₅H₁₈F₂N₆O₇S₂
Molarna masa	496,466
SMILES CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CCO
InChI InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1^Y Key:UHRBTBZOWWGKMK-DOMZBBRYSA-N^Y

Flomoksef je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 496,466 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	12
Broj donora vodonika	3
Broj rotacionih veza	11
Particioni koeficijent^[1] (ALogP)	-0,9
Rastvorljivost^[2] (logS, log(mol/L))	-2,9
Polarna površina^[3] (PSA, Å²)	219,6

^ 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.