| CAS Number | 192876-02-1 |
| Catalog Number | AG002GF5(AGN-PC-0QLMJR) |
| Chemical Name | Desmethyl Fluvoxamine |
| IUPAC Name | (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol |
| InChI | InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+ |
| InChI Key | GCSLDHTZSDNYEC-CPNJWEJPSA-N |
| MDL Number | MFCD18252429 |
| Molecular Formula | C14H19F3N2O2 |
| Molecular Weight | 304.3081 |
| SMILES | NCCON=C(/CCCCO)c1ccc(cc1)C(F)(F)F |
| UNII | Y308JH639R |
| Synonyms | fluvoxamino acid,
Desmethyl Fluvoxamine,
192876-02-1,
UNII-Y308JH639R,
Y308JH639R,
EP Impurity G,
Fluvoxamine Impurity G,
SCHEMBL16220938,
DTXSID30172885,
ACM192876021,
J-012483,
(1E)-5-Hydroxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone O-(2-Aminoethyl)oxime,
1-Pentanone, 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-,
Fluvoxamino Acid,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 304.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.313g/mol |
| Monoisotopic Mass | 304.14g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number