| CAS Number | 220548-73-2 |
| Catalog Number | AG00C2Y4(AGN-PC-0WBM3E) |
| Chemical Name | [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol hydrochloride |
| IUPAC Name | [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride |
| InChI | InChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,14-15H,5-8H2;1H/t10-,12-;/m0./s1 |
| InChI Key | KIGXYHWSOJVZNA-JGAZGGJJSA-N |
| MDL Number | MFCD30186594 |
| Molecular Formula | C12H17ClFNO |
| Molecular Weight | 245.7209 |
| SMILES | Cl.OC[C@H]1[C@H](C2=CC=C(F)C=C2)CCNC1 |
| Synonyms | 220548-73-2,
N-Desmethyl Paroxol Hydrochloride,
(3S,4R)-4-(4-Fluorophenyl)piperidine-3-methanol Hydrochloride,
Paroxetine Impurity I HCl,
KIGXYHWSOJVZNA-JGAZGGJJSA-N,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.722g/mol |
| Monoisotopic Mass | 245.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number