Simfibrat
{{Drugbox-lat | IUPAC_name = | image = simfibrate.png | width = | alt = | image2 = | width2 = | alt2 = | drug_name = Simfibrat | caption =
| tradename = | Drugs.com = Monografija | MedlinePlus = | licence_EU = | licence_US = | DailyMedID = | pregnancy_AU = | pregnancy_US = | pregnancy_category= | legal_AU = | legal_CA = | legal_UK = | legal_US = | legal_status = | dependency_liability = | routes_of_administration =
| bioavailability = | protein_bound = | metabolism = | elimination_half-life = | excretion =
| CAS_number_Ref = 
| CAS_number =
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| ATCvet =
| ATC_prefix = C10
| ATC_suffix = AB06
| ATC_supplemental =
| PubChem = 5217
| PubChemSubstance =
| IUPHAR_ligand =
| DrugBank_Ref =
| DrugBank =
| ChemSpiderID_Ref =
| ChemSpiderID = 5028
| UNII_Ref =
| UNII = L2R75RQX26
| KEGG_Ref =
| KEGG = D01212
| ChEBI_Ref =
| ChEBI =
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| synonyms = 3-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}propyl 2-(4-chlorophenoxy)-2-methylpropanoate
|C=23 |H=26 |Cl=2 |O=6
| molecular_weight = 469,355
| smiles = CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc2ccc(Cl)cc2
| StdInChI = 1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3
| StdInChIKey_Ref =
| StdInChI_comment =
| StdInChIKey = JLRNKCZRCMIVKA-UHFFFAOYSA-N
| StdInChI_Ref =
| density =
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}}
Simfibrat je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 469,355 Da.
Osobine
[уреди | уреди извор]| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 6 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 12 |
| Particioni koeficijent[1] (ALogP) | 5,8 |
| Rastvorljivost[2] (logS, log(mol/L)) | -7,3 |
| Polarna površina[3] (PSA, Å2) | 71,1 |
Reference
[уреди | уреди извор]- ^ 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. 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
[уреди | уреди извор]- Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.
Spoljašnje veze
[уреди | уреди извор]
 | Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja). |
