| CAS Number | 1217262-11-7 |
| Catalog Number | AG009E06(AGN-PC-0WOXAZ) |
| Chemical Name | N-(Ethylamino) Fluvoxamine (up to 15% Z isomer) |
| IUPAC Name | N'-[2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]ethane-1,2-diamine |
| InChI | InChI=1S/C17H26F3N3O2/c1-24-12-3-2-4-16(23-25-13-11-22-10-9-21)14-5-7-15(8-6-14)17(18,19)20/h5-8,22H,2-4,9-13,21H2,1H3/b23-16+ |
| InChI Key | YBAOCNUGFGRFPC-XQNSMLJCSA-N |
| MDL Number | MFCD27918707 |
| Molecular Formula | C17H26F3N3O2 |
| Molecular Weight | 361.4024 |
| SMILES | COCCCCC(=NOCCNCCN)c1ccc(cc1)C(F)(F)F |
| UNII | 5G60GX48UA |
| Synonyms | N-(Ethylamino) Fluvoxamine,
UNII-5G60GX48UA,
1217262-11-7,
5G60GX48UA,
EP Impurity F,
Fluvoxamine Impurity F,
SCHEMBL16220937,
ZINC199846217,
5-Methoxy-1-[4-(trifluoromethyl)phenyl]- 1-pentanone O-[2-[(2-Aminoethyl)amino]ethyl]oxime,
N-[2-[[[(E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]etane-1,2-diamine,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 361.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.409g/mol |
| Monoisotopic Mass | 361.198g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number