Benzetidin
Benzetidin je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 367,481 Da.[1][2]
Klinički podaci | |
---|---|
Drugs.com | Monografija |
Identifikatori | |
CAS broj | 3691-78-9 |
ATC kod | None |
PubChem | CID 62516 |
DrugBank | DB01518 |
ChemSpider | 56290 |
Hemijski podaci | |
Formula | C23H29NO3 |
Molarna masa | 367,481 |
| |
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Osobine
urediOsobina | Vrednost |
---|---|
Broj akceptora vodonika | 4 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 9 |
Particioni koeficijent[3] (ALogP) | 3,9 |
Rastvorljivost[4] (logS, log(mol/L)) | -5,4 |
Polarna površina[5] (PSA, Å2) | 38,8 |
Reference
uredi- ^ 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.
- ^ Nucleic Acids Res (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.
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u Authors list (pomoć) - ^ Ghose, A.K., Viswanadhan V.N., and 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. Arhivirano iz originala 22. 07. 2014. g. Pristupljeno 13. 12. 2013.
- ^ 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
uredi- Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. izd.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6. izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.