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Nafcilin

Nafcilin
Klinički podaci
Prodajno imeNafcilin-1, Nafcillin sodium for injection, Nallpen, Nallpen In Plastic Container
Drugs.comMonografija
Način primeneOralno
Farmakokinetički podaci
Poluvreme eliminacije33 - 61 min
IzlučivanjeBilijarno
Identifikatori
CAS broj985-16-0 ДаY
ATC kodNone
PubChemCID 8982
DrugBankDB00607 ДаY
ChemSpider8634 ДаY
KEGGC07250 ДаY
ChEBICHEBI:7447 ДаY
ChEMBLCHEMBL1443 ДаY
Hemijski podaci
FormulaC21H22N2O5S
Molarna masa414,475
  • [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O
  • InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1 ДаY
  • Key:GPXLMGHLHQJAGZ-JTDSTZFVSA-N ДаY

Nafcilin je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 414,475 Da.[1][2]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 2
Broj rotacionih veza 5
Particioni koeficijent[3] (ALogP) 2,3
Rastvorljivost[4] (logS, log(mol/L)) -4,9
Polarna površina[5] (PSA, Å2) 121,2
  1. ^ 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 3013709Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  2. ^ 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 2238889Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  3. ^ 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. 
  4. ^ 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. 
  5. ^ 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. 

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Nafcilin
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