| CAS Number | 1315629-79-8 |
| Catalog Number | AG009F7Z(AGN-PC-0WA4A0) |
| Chemical Name | Sodium 4-(1b-(4-fluorophenyl)-7-hydroxy-7-isopropyl-1a-phenyl-7a-(phenylcarbamoyl)hexahydro-3H-oxireno[2',3':3,4]pyrrolo[2,1-b][1,3]oxazin-3-yl)-3-hydroxybutanoate |
| IUPAC Name | sodium;4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-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)32(41)31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)33(23-13-15-24(34)16-14-23)36(32)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 | SJDGRTRCGRODGR-UHFFFAOYSA-M |
| MDL Number | MFCD28899177 |
| Molecular Formula | C33H35FN2NaO7 |
| Molecular Weight | 613.6284 |
| SMILES | [Na].O=C(O)CC(O)CC1OC2(C3=CC=C(F)C=C3)N(CC1)C(O)(C(C)C)C4(OC24C=5C=CC=CC5)C(=O)NC=6C=CC=CC6 |
| Synonyms | ATV-FX1 sodium salt,
1315629-79-8,
ATV-cycloFP Sodium,
DTXSID90747058,
FT-0662329,
Atorvastatin Cyclic (Fluorophenyl) Sodium Salt Impurity,
1b-(4-Fluorophenyl)hexahydro-|A,7-dihydroxy-7-(1-methylethyl)-1a-phenyl-7a-[(phenylamino)carbonyl]-3H-oxireno[3,4]pyrrolo[2,1-b][1,3]oxazine-3-butanoic Acid Sodium,
Sodium 4-[1b-(4-fluorophenyl)-7-hydroxy-1a-phenyl-7a-(phenylcarbamoyl)-7-(propan-2-yl)hexahydro-3H-oxireno[3,4]pyrrolo[2,1-b][1,3]oxazin-3-yl]-3-hydroxybutanoate,
|
| 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