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Cinarizin

Cinarizin
Klinički podaci
Prodajno imeAplactan, Aplexal, Apotomin, Artate
Drugs.comMonografija
Identifikatori
CAS broj298-57-7 ДаY
ATC kodN07CA02 (WHO)
PubChemCID 1547484
DrugBankDB00568 ДаY
ChemSpider2659 ДаY
ChEBICHEBI:31403 ДаY
ChEMBLCHEMBL43064 ДаY
Hemijski podaci
FormulaC26H28N2
Molarna masa368,514
  • C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
  • InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ ДаY
  • Key:DERZBLKQOCDDDZ-JLHYYAGUSA-N ДаY

Cinarizin je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 368,514 Da.[1][2]

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 0
Broj rotacionih veza 6
Particioni koeficijent[3] (ALogP) 5,5
Rastvorljivost[4] (logS, log(mol/L)) -6,7
Polarna površina[5] (PSA, Å2) 6,5

Reference

  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 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  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 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  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.  уреди
  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.  уреди

Literatura

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