| CAS Number | 127017-74-7 |
| Catalog Number | AG009X97(AGN-PC-0WAF02) |
| Chemical Name | rac-trans-4-Defluoro-4-methoxy Paroxetine Hydrochloride |
| IUPAC Name | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)piperidine;hydrochloride |
| InChI | InChI=1S/C20H23NO4.ClH/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19;/h2-7,10,15,18,21H,8-9,11-13H2,1H3;1H/t15-,18-;/m0./s1 |
| InChI Key | WGRXGIJCIOCNHB-NKGQWRHHSA-N |
| MDL Number | MFCD18379311 |
| Molecular Formula | C20H24ClNO4 |
| Molecular Weight | 377.8619 |
| SMILES | Cl.COc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3 |
| Synonyms | 127017-74-7,
rac-trans-4-Defluoro-4-methoxy Paroxetine Hydrochloride,
DTXSID10747434,
(3R,4S)-rel-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)piperidine Hydrochloride,
(3S,4R)-3-{[(2H-1,3-Benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)piperidine--hydrogen chloride (1/1),
Paroxetine EP Impurity B,
WGRXGIJCIOCNHB-NKGQWRHHSA-N,
trans-(+/-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)piperidine Hydrochloride,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.865g/mol |
| Monoisotopic Mass | 377.139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number