Compound Summary
Paroxetine hydrochloride hemihydrate
Compound Information
Paroxetine hydrochloride hemihydrate
Compound Name: | Paroxetine hydrochloride hemihydrate |
Compound CID: | 5282487 |
Synonyms: | Paroxetine hydrochloride hemihydrate 110429-35-1 UNII-X2ELS050D8 X2ELS050D8 (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochloride More... |
Iupac Name: | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochloride |
InChI: | InChI=1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1 |
InChIKey: | MQZOATSIFWSKKT-OASXIEIISA-N |
Canonical Smiles: | C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.Cl |
Isomeric Smiles: | C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.Cl |
Molecular Weight: | 749.7 |
Molecular Formula: | C38H44Cl2F2N2O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Paroxetine hydrochloride hemihydrate
Molecular Weight: | 749.7 |
Molecular Formula: | C38H44Cl2F2N2O7 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 51 |
Complexity: | 402 |
Synonyms
Paroxetine hydrochloride hemihydrate
| Paroxetine hydrochloride hemihydrate | Paroxetine hydrochloride hemihydrate |
|---|---|
Paroxetine hydrochloride hemihydrate |
110429-35-1 |
UNII-X2ELS050D8 |
X2ELS050D8 |
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochloride |
Paxil (TN) |
(3S,4R)-3-((Benzod1,3dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride hemihydrate |
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-ium;chloride |
PAROXETINE HCL HEMIHYDRATE |
Paroxetine HCl hydrate |
DTXSID101017095 |
AKOS015962357 |
KS-1094 |
NCGC00181791-01 |
Paroxetine hydrochloride hydrate (JP17) |
(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride hemihydrate |
AC-16708 |
Paroxetine hydrochloride hemihydrate (USP) |
D02260 |
Q27293431 |
Paroxetine Hydrochloride Hemihydrate 1.0 mg/ml in Methanol (as anhydrous free base) |
Experimental Data
Paroxetine hydrochloride hemihydrate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Paroxetine hydrochloride hemihydrate
Statistics Data
Paroxetine hydrochloride hemihydrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.000000000000000 | 1 | 1 |
Statistics Data Visualization
Paroxetine hydrochloride hemihydrate
