GuajakolsulfonatKlinički podaci |
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AHFS/Drugs.com | Monografija |
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Identifikatori |
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CAS broj | 50855-43-1 |
ATC kod | R05CA09 |
PubChem[1][2] | 4874 |
ChemSpider[3] | 4708 |
Hemijski podaci |
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Formula | C7H7O5S |
Mol. masa | 203,192 |
SMILES | eMolekuli & PubHem |
InChI |
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InChI=1S/C7H8O5S/c1-12-7-5(8)3-2-4-6(7)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)/p-1 Key: PSWOVMUIOCKEJX-UHFFFAOYSA-M |
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Farmakoinformacioni podaci |
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Trudnoća | ? |
Pravni status |
Guajakolsulfonat je organsko jedinjenje, koje sadrži 7 atomaugljenika i ima molekulsku masu od 203,192 Da.
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Osobine[uredi - уреди | uredi izvor]
Osobina | Vrednost |
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Broj akceptora vodonika | 5 |
Broj donora vodonika | 1 |
Broj rotacionih veza | 2 |
Particioni koeficijent[4] (ALogP) | 0,2 |
Rastvorljivost[5] (logS, log(mol/L)) | -1,0 |
Polarna površina[6] (PSA, Å2) | 95,0 |
Reference[uredi - уреди | uredi izvor]
- ↑Li Q, Cheng T, Wang Y, Bryant SH (2010). 'PubChem as a public resource for drug discovery.'. Drug Discov Today15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID20970519. http://www.sciencedirect.com/science/article/pii/S1359644610007737.edit
- ↑Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). 'Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities'. Annual Reports in Computational Chemistry4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
- ↑Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). 'Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining'. J Cheminform2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID20331846. http://www.jcheminf.com/content/2/1/3.edit
- ↑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. A102: 3762-3772. DOI:10.1021/jp980230o. http://www.citeulike.org/user/gregoryross/article/2886898.
- ↑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. DOI:10.1021/ci000392t. PMID11749573. http://pubs.acs.org/doi/abs/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. DOI:10.1021/jm000942e. PMID11020286. http://pubs.acs.org/doi/abs/10.1021/jm000942e.
Literatura[uredi - уреди | uredi izvor]
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. http://books.mcgraw-hill.com/medical/goodmanandgilman/.
- Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. http://www.lww.com/productTOC/?ISBN=978-0-7817-6879-5.
Djwhal Khul Fontana Svjetlosti Center
Spoljašnje veze[uredi - уреди | uredi izvor]
Guajakolsulfonat na Wikimedijinoj ostavi
Molimo Vas, obratite pažnju na važno upozorenje u vezi tema o zdravlju (medicini). |
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