| SpectraBase Spectrum ID |
AVW1Eh3D6wW |
| Name |
Atorvastatin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H35FN2O5 |
| InChI |
InChI=1S/C33H35FN2O5/c1-21(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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 |
| InChIKey |
XUKUURHRXDUEBC-KAYWLYCHSA-N |
| Molecular Weight |
558.650 g/mol |
| SMILES |
C(O)(=O)C[C@@](C[C@@](CC[n]1c(c(c(c1C(C)C)C(Nc1ccccc1)=O)-c1ccccc1)-c1ccc(cc1)F)(O)[H])(O)[H] |
| SPLASH |
splash10-0a4i-2259000000-79aa49f3275229b7e7a0 |
| Source of Spectrum |
SWG-33-2460-0 |
| Synonyms |
Lipitor
(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid |
| Wiley ID |
1809706 |
