| CAS Number | 1217214-94-2 |
| Catalog Number | AG009E7G(AGN-PC-0WH1ZT) |
| Chemical Name | Desfluoro Fluvoxamine |
| IUPAC Name | 2-[(E)-[1-[4-(difluoromethyl)phenyl]-5-methoxypentylidene]amino]oxyethanamine |
| InChI | InChI=1S/C15H22F2N2O2/c1-20-10-3-2-4-14(19-21-11-9-18)12-5-7-13(8-6-12)15(16)17/h5-8,15H,2-4,9-11,18H2,1H3/b19-14+ |
| InChI Key | IREIMYRIFHIJAG-XMHGGMMESA-N |
| MDL Number | MFCD18382258 |
| Molecular Formula | C15H22F2N2O2 |
| Molecular Weight | 300.3442 |
| SMILES | COCCCCC(=NOCCN)c1ccc(cc1)C(F)F |
| UNII | GUK01AF9IB |
| Synonyms | Desfluoro Fluvoxamine,
UNII-GUK01AF9IB,
1217214-94-2,
GUK01AF9IB,
Fluvoxamine Impurity E,
ZINC199847105,
2-[[[(1E)-1-[4-(Difluoromethyl)phenyl]-5-methoxypentylidene]amino]oxy]ethanamine,
EP Impurity E,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 300.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.35g/mol |
| Monoisotopic Mass | 300.165g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number