Cefmatilen

Cefmatilen
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	140128-74-1^Y
ATC kod	none
PubChem	CID 9690121
ChemSpider	4912110^Y
UNII	T750UM24H8^Y
Hemijski podaci
Formula	C₁₅H₁₄N₈O₅S₄
Molarna masa	514,582
SMILES O\N=C(/C(=N/[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc3cnn[nH]3)/O)\C4=CSC(=N)N4
InChI InChI=1S/C15H14N8O5S4/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22)/b21-8-/t9-,13-/m1/s1^Y Key:UEQVTKSAEXANEZ-YCRCPZNHSA-N^Y

Cefmatilen je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 514,582 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	14
Broj donora vodonika	6
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	0,1
Rastvorljivost^[2] (logS, log(mol/L))	-2,7
Polarna površina^[3] (PSA, Å²)	301,4

^ 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.