| CAS Number | 93957-58-5 |
| Catalog Number | AG01CBB8(AGN-PC-0W3KH8) |
| Chemical Name | Rel-Sodium (3S,5R,E)-7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoate |
| IUPAC Name | sodium;(E,3R,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate |
| InChI | InChI=1S/C24H26FNO4.Na/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;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19+;/m0./s1 |
| InChI Key | ZGGHKIMDNBDHJB-INNGCKGUSA-M |
| Molecular Formula | C24H25FNNaO4 |
| Molecular Weight | 433.4478 |
| SMILES | [Na+].CC(C)n1c(C=C[C@@H](O)C[C@H](O)CC(=O)[O-])c(c2ccc(F)cc2)c3ccccc13 |
| Synonyms | 93957-58-5,
Fluvastatin sodium anti-isomer,
DTXSID10239940,
UNII-FRP6Z03X99 component ZGGHKIMDNBDHJB-INNGCKGUSA-M,
(3R,5R,6E)-3,5-Dihydroxy-7-[1-isopropyl-3-(4-fluorophenyl)-1H-indol-2-yl]-6-heptenoic acid sodium salt,
sodium (3R,5R,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate,
UNII-FRP6Z03X99,
|
| Complexity | 596 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 433.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.455g/mol |
| Monoisotopic Mass | 433.167g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 85.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number