Simvastatin
| DEDuCT identifier | DED000349 |
|---|---|
| Pubchem identifier | 54454 |
| CAS identifier | 79902-63-9 |
| IUPAC name | Simvastatin |
| Category based on type of supporting evidence | Category III |
| Broad category based on environmental source | Medicine and Healthcare, Pollutant |
| Sub-category based on environmental source | Drugs and Pharmaceuticals, Environmental Pollutant |
| Chemical kingdom | Organic compounds |
| Chemical super-class | Organoheterocyclic compounds |
| Chemical class | Lactones |
| SMILES | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C |
| 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 |
| InChIKey | RYMZZMVNJRMUDD-HGQWONQESA-N |
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