Name | Atorvastatin calcium trihydrate |
Iupac Chemical Name | Atorvastatin calcium trihydrate |
Synonyms | CI-981; CI 981; CI981; Atorvastatin; atorvastatin calcium; atorvastatin calcium anhydrous; atorvastatin calcium; hydrate; atorvastatin calcium trihydrate; atorvastatin, calcium salt; Brand name: Lipitor; liptonorm |
Molecular Formula | C66H74CaF2N4O13 |
Molecular Weight | 1209.38757 |
Smile | CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[Ca]OC(=O)C[C@@H](C[C@@H](CCn2c(c(c(c2C(C)C)C(=O)Nc3ccccc3)c4ccccc4)c5ccc(cc5)F)O)O)O)O)c6ccc(cc6)F)c7ccccc7)C(=O)Nc8ccccc8.O.O.O |
InChiKey | SHZPNDRIDUBNMH-NIJVSVLQSA-L |
InChi | InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1 |
CAS Number | 344423-98-9 |
MDL | MFCD09752074 |
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