trans N-Benzyl Paroxetine (CAS 105813-14-7) — formula C26H26FNO3, molecular weight 419.5; category organic chemicals.
| CAS Number | 105813-14-7 |
|---|---|
| Molecular Formula | C26H26FNO3 |
| Molecular Weight | 419.5 |
| LogP | 5.5 |
| Category | Organic Chemicals |
trans N-Benzyl Paroxetine is a carbon-based organic compound with CAS registry number 105813-14-7 and molecular formula C26H26FNO3 (molecular weight 419.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 105813-14-7
Its molecular formula C26H26FNO3 comprises 26 C, 26 H, 1 F, 1 N, 3 O atoms.
Also known as: trans N-Benzyl Paroxetine · 反式N-苄基帕罗西汀
Category: organic chemicals
The CAS registry number of trans N-Benzyl Paroxetine is 105813-14-7.
Molecular formula C26H26FNO3, molecular weight 419.5.
It is also registered under: trans N-Benzyl Paroxetine, 反式N-苄基帕罗西汀.
Category: Organic Chemicals.
Independent reference data for trans N-Benzyl Paroxetine (CAS 105813-14-7), compiled from public chemistry databases.
| CAS Registry Number | 105813-14-7 |
|---|---|
| PubChem CID | 9953865 |
| Molecular formula | C26H26FNO3 |
| IUPAC name | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine |
| UNII (FDA) | MLV7RU9XDD |
| Molecular Weight | 419.5 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 419.18967185 |
| Monoisotopic Mass | 419.18967185 |
| Topological Polar Surface Area | 30.9 |
| Heavy Atom Count | 31 |
(3S,4r)-3-[(1,3-benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine; (3S,4R)-3-((1,3-Benzodioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine; RefChem:401511; 929-011-7; 105813-14-7; (-)-N-Benzylparoxetine; N-Benzylparoxetine; MLV7RU9XDD; (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine; (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine; (3S,4R)-3-(((1,3-Benzodioxol-5-yl)oxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine; Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, (3S,4R)-; Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, trans-(-)-; starbld0017939; UNII-MLV7RU9XDD; (3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine hydrochloride
| Reported hazard statements | H302 (100%), H317 (100%), H332 (100%), H373 (100%), H400 (100%), H410 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
trans N-Benzyl Paroxetine · CAS 105813-14-7 · C26H26FNO3. UNII MLV7RU9XDD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 反式N-苄基帕罗西汀