| CAS Number | 259526-43-7 |
| Catalog Number | AG002R6L(AGN-PC-0JEKP6) |
| Chemical Name | N-(2-Succinyl) Fluvoxamine |
| IUPAC Name | 2-[2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethylamino]butanedioic acid |
| InChI | InChI=1S/C19H25F3N2O6/c1-29-10-3-2-4-15(13-5-7-14(8-6-13)19(20,21)22)24-30-11-9-23-16(18(27)28)12-17(25)26/h5-8,16,23H,2-4,9-12H2,1H3,(H,25,26)(H,27,28)/b24-15+ |
| InChI Key | NAYFERHDYLITGX-BUVRLJJBSA-N |
| MDL Number | MFCD18382432 |
| Molecular Formula | C19H25F3N2O6 |
| Molecular Weight | 434.4068 |
| SMILES | COCCCCC(=N/OCCNC(CC(=O)O)C(=O)O)c1ccc(cc1)C(F)(F)F |
| Synonyms | N-(2-Succinyl) Fluvoxamine,
259526-43-7,
N-(2-Succinyl)fluvoxamine,
ACM259526437,
J-016189,
(E)-omega-Methoxy-4'-(trifluoromethyl)valerophenone O-[2-(1,2-dicarboxyethylamino)ethyl]oxime,
N-[2-[(1,2-Dicarboxyethyl)amino]ethoxy]-alpha-(4-methoxybutyl)-4-(trifluoromethyl)benzenemethanimine,
N-[2-[[(E)-[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]aspartic Acid,
EP Impurity C,
Fluvoxamine EP Impurity C,
UNII-Z816293710,
Z816293710,
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| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 434.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.412g/mol |
| Monoisotopic Mass | 434.166g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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