| CAS Number | 476305-24-5 |
| Catalog Number | AG00DF2N(AGN-PC-0WAI9X) |
| Chemical Name | Simvastatin Dimer |
| IUPAC Name | [(2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] (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-dihydroxyheptanoate |
| InChI | InChI=1S/C50H76O10/c1-11-49(7,8)47(55)59-41-23-29(3)21-33-15-13-31(5)39(45(33)41)19-17-35(51)25-36(52)26-43(53)58-38-27-37(57-44(54)28-38)18-20-40-32(6)14-16-34-22-30(4)24-42(46(34)40)60-48(56)50(9,10)12-2/h13-16,21-22,29-32,35-42,45-46,51-52H,11-12,17-20,23-28H2,1-10H3/t29-,30-,31-,32-,35+,36+,37+,38+,39-,40-,41-,42-,45-,46-/m0/s1 |
| InChI Key | GUEULYYYHDURDF-CWZAOXTASA-N |
| MDL Number | MFCD23160342 |
| Molecular Formula | C50H76O10 |
| Molecular Weight | 837.1324 |
| SMILES | C([C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]12[H])C[C@H]1OC(=O)C[C@H](OC(=O)C[C@H](O)C[C@H](O)CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]23[H])C1 |
| UNII | 0OC7Z384H2 |
| Synonyms | Simvastatin dimer,
Simvastatin Dimer Impurity,
476305-24-5,
UNII-0OC7Z384H2,
0OC7Z384H2,
Simvastatin specified impurity D [EP],
Simvastatin impurity, simvastatin dimer- [USP],
CTK8E7516,
DTXSID60197228,
AKOS027326650,
ZINC257373097,
RT-015703,
2,2-Dimethylbutyric acid (1S)-3beta,7alpha-dimethyl-8alpha-[2-[[(2R,4R)-4-[[(3R,5R)-3,5-dihydroxy-7-[(1S)-1-(2,2-dimethylbutyryloxy)-3beta,7alpha-dimethyl-1,2,3,7,8,8aalpha-hexahydronaphthalene-8alpha-yl]heptanoyl]oxy]-6-oxotetrahydro-2H-pyran]-2-yl]ethyl]-1,2,3,7,8,8aalpha-hexahydronaphthalene-1beta-yl ester,
Simvastatin Impurity D,
SimvastatinDimerImpurity,
Simvastatin dimer, 98% - 1MG 1mg,
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