Chemical Component Summary | |
|---|---|
| Name | Simvastatin acid |
| Synonyms | DIMETHYL-COMPACTIN |
| Identifiers | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid |
| Formula | C25 H40 O6 |
| Molecular Weight | 436.582 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C |
| InChI | InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1 |
| InChIKey | XWLXKKNPFMNSFA-HGQWONQESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 7 |
| Bond Count | 72 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB14714 |
|---|---|
| Name | Tenivastatin |
| Groups | experimental |
| Synonyms |
|
| CAS number | 121009-77-6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 64718 |
| ChEMBL | CHEMBL1201391 |
