| CAS Number | 1316291-19-6 |
| Catalog Number | AG01CBWX(AGN-PC-0WH23H) |
| Chemical Name | Sodium 4-(7-(4-fluorophenyl)-7-hydroxy-1b-isopropyl-7a-phenyl-1a-(phenylcarbamoyl)hexahydro-1aH-oxireno[2',3':3,4]pyrrolo[2,1-b][1,3]oxazin-3-yl)-3-hydroxybutanoate |
| IUPAC Name | sodium;4-[5-(4-fluorophenyl)-5-hydroxy-4-phenyl-2-(phenylcarbamoyl)-1-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoate |
| InChI | InChI=1S/C33H35FN2O7.Na/c1-21(2)33-31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)32(41,23-13-15-24(34)16-14-23)36(33)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1 |
| InChI Key | OWLRXFXFFHQDSQ-UHFFFAOYSA-M |
| MDL Number | MFCD19691617 |
| Molecular Formula | C33H35FN2NaO7 |
| Molecular Weight | 613.6284 |
| SMILES | [Na].C(=O)(Nc1ccccc1)C12C(O1)(C(N1C2(C(C)C)OC(CC1)CC(CC(=O)O)O)(O)c1ccc(cc1)F)c1ccccc1 |
| Synonyms | Atorvastatin Cyclic Sodium Salt (Isopropyl) Impurity,
ATV-FXA sodium salt,
ATV-cycloIP Sodium Salt,
1316291-19-6,
7-(4-Fluorophenyl)hexahydro-|A,7-dihydroxy-1b-(1-methylethyl)-7a-phenyl-1a-[(phenylamino)carbonyl]-3H-oxireno[3,4]pyrrolo[2,1-b][1,3]oxazine-3-butanoic Acid Sodium Salt,
|
| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 612.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 612.63g/mol |
| Monoisotopic Mass | 612.225g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number