Simvastatin
Klinički podaci
Robne marke
Cholestat, Coledis, Colemin, Corolin
AHFS/Drugs.com
Monografija
Identifikatori
CAS broj
79902-63-9
ATC kod
C10 AA01
PubChem [ 1] [ 2]
54454
DrugBank
DB00641
ChemSpider [ 3]
49179
ChEBI
CHEBI:9150 Y
ChEMBL [ 4]
CHEMBL1064 Y
Hemijski podaci
Formula
C 25 H 38 O 5
Mol. masa
418,566
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18 ,19 ,20-,21-,23-/m0/s1 Key: RYMZZMVNJRMUDD-HGQWONQESA-N Y
Fizički podaci
Tačka topljenja
135-138 °C (-81 °F)
Farmakokinetički podaci
Poluvreme eliminacije
3 h
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
Način primene
Oralno
Simvastatin je organsko jedinjenje , koje sadrži 25 atoma ugljenika i ima molekulsku masu od 418,566 Da .[ 5] [ 6] [ 7]
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.” . Drug Discov Today 15 (23-24): 1052-7. DOI :10.1016/j.drudis.2010.10.003 . PMID 20970519 . 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 Chemistry 4 : 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 Cheminform 2 (1): 3. DOI :10.1186/1758-2946-2-3 . PMID 20331846 . edit
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI :10.1093/nar/gkr777 . PMID 21948863 . edit
↑ Wolozin B, Wang SW, Li NC, Lee A, Lee TA, Kazis LE: Simvastatin is associated with a reduced incidence of dementia and Parkinson's disease. BMC Med. 2007 Jul 19;5:20. PMID 17640385
↑ 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. DOI :10.1093/nar/gkq1126 . PMC 3013709 . PMID 21059682 . edit
↑ David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets” . Nucleic Acids Res 36 (Database issue): D901-6. DOI :10.1093/nar/gkm958 . PMC 2238889 . PMID 18048412 . 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. 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. DOI :10.1021/ci000392t . PMID 11749573 . edit
↑ 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 . PMID 11020286 . edit