Cefotetan

Cefotetan je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 575,619 Da.^[1]^[2]

Cefotetan
Klinički podaci

Prodajno ime	Cefotan, Yamatetan
Drugs.com	Monografija
Način primene	Intramaskularno, intravenozno
Farmakokinetički podaci
Izlučivanje	Renalno

Identifikatori
CAS broj	69712-56-7^Y
ATC kod	J01DC05 (WHO)
PubChem	CID 53025
DrugBank	DB01330^Y
ChemSpider	47904^Y
KEGG	C06886^Y
ChEBI	CHEBI:3499^Y
ChEMBL	CHEMBL474579^Y
Hemijski podaci
Formula	C₁₇H₁₇N₇O₈S₄
Molarna masa	575,619
SMILES [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O
InChI InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1^Y Key:SRZNHPXWXCNNDU-IXOPCIAXSA-N^Y

Osobine

Osobina	Vrednost
Broj akceptora vodonika	15
Broj donora vodonika	4
Broj rotacionih veza	9
Particioni koeficijent^[3] (ALogP)	-0,4
Rastvorljivost^[4] (logS, log(mol/L))	-3,8
Polarna površina^[5] (PSA, Å²)	321,1

Reference

^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709  . PMID 21059682. doi:10.1093/nar/gkq1126.
^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889  . PMID 18048412. doi:10.1093/nar/gkm958.
^ 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.

Literatura

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.

Spoljašnje veze

Cefotetan

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