| CAS Number | 1160169-39-0 |
| Catalog Number | AG008WUR(AGN-PC-03Z14X) |
| Chemical Name | rac 5-Keto Fluvastatin |
| IUPAC Name | (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acid |
| InChI | InChI=1S/C24H24FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,19,28H,13-14H2,1-2H3,(H,29,30)/b12-11+ |
| InChI Key | FSIBOMHNSMFWBF-VAWYXSNFSA-N |
| MDL Number | MFCD12031418 |
| Molecular Formula | C24H24FNO4 |
| Molecular Weight | 409.4501 |
| SMILES | C(O)(=O)CC(O)CC(=O)/C=C/C1=C(C2=CC=C(F)C=C2)C2=C(N1C(C)C)C=CC=C2 |
| Synonyms | rac 5-Keto Fluvastatin,
1160169-39-0,
5-Ketofluvastatin,
SCHEMBL4019705,
SCHEMBL4024735,
7-(3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-3-hydroxy-5-oxohept-6-enoic acid, (6E)-,
RT-015350,
J-003366,
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acid,
(6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxohept-6-enoic Acid (5-Ketofluvastatin),
(E)-(+/-)-7-[3-(4-Fluorophenyl)-1-(methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoic Acid,
Fluvastatin Impurity,
UNII-8LLT21950O,
8LLT21950O,
131926-95-9,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 409.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.457g/mol |
| Monoisotopic Mass | 409.169g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number