Metoksifluran
Изглед
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Klinički podaci | |
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Prodajno ime | Analgizer, Anecotan, Ingalan, Inhalan |
Drugs.com | Monografija |
Identifikatori | |
CAS broj | 76-38-0![]() |
ATC kod | N02BG09(WHO) |
PubChem | CID4116 |
DrugBank | DB01028![]() |
ChemSpider | 3973![]() |
KEGG | C07517![]() |
ChEMBL | CHEMBL1341![]() |
Hemijski podaci | |
Formula | C3H4Cl2F2O |
Molarna masa | 164,966 |
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Fizički podaci | |
Tačka topljenja | −35 °C (−31 °F) |
Tačka ključanja | 105 °C (221 °F) |
Metoksifluranjeorgansko jedinjenje,koje sadrži 3atomaugljenikai imamolekulsku masuod 164,966Da.[1][2]
Osobine
[уреди|уреди извор]Osobina | Vrednost |
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Broj akceptora vodonika | 1 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 2 |
Particioni koeficijent[3](ALogP) | 2,1 |
Rastvorljivost[4](logS,log(mol/L)) | -2,6 |
Polarna površina[5](PSA,Å2) | 9,2 |
Reference
[уреди|уреди извор]- ^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.PMC3013709
.PMID21059682.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.PMC2238889
.PMID18048412.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.PMID11749573.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.PMID11020286.doi:10.1021/jm000942e.
Literatura
[уреди|уреди извор]- Hardman JG, Limbird LE, Gilman AG (2001).Goodman & Gilman's The Pharmacological Basis of Therapeutics(10. изд.). New York: McGraw-Hill.ISBN0071354697.doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007).Foye's Principles of Medicinal Chemistry(6. изд.). Baltimore: Lippincott Willams & Wilkins.ISBN0781768799.
Spoljašnje veze
[уреди|уреди извор]
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