Cefapirin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 423,463 Da.[1][2]

Cefapirin
Klinički podaci
Prodajno imeAmbrocef, Cefa, Cefadyl, Cefatrex
Drugs.comMonografija
Identifikatori
CAS broj21593-23-7 ДаY
ATC kodNone
PubChemCID 30699
DrugBankDB01139 ДаY
ChemSpider28486 ДаY
KEGGC06896 ДаY
ChEBICHEBI:554446 ДаY
ChEMBLCHEMBL1599 ДаY
Hemijski podaci
FormulaC17H17N3O6S2
Molarna masa423,463
  • [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O
  • InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1 ДаY
  • Key:UQLLWWBDSUHNEB-CZUORRHYSA-N ДаY

Osobine уреди

Osobina Vrednost
Broj akceptora vodonika 9
Broj donora vodonika 2
Broj rotacionih veza 8
Particioni koeficijent[3] (ALogP) -0,3
Rastvorljivost[4] (logS, log(mol/L)) -3,4
Polarna površina[5] (PSA, Å2) 176,5

Reference уреди

  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 3013709 . 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 2238889 . 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. 

Literatura уреди

Spoljašnje veze уреди