Paroxetine Hydrochloride Hemihydrate
bis((3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);hydrate;dihydrochloride
Molecular Identity
Paroxetine Hydrochloride Hemihydrate
bis((3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);hydrate;dihydrochloride
PubChem CID: 5282487
2D Structure
Properties
C38H44Cl2F2N2O7
Molecular Formula
749.70
Molecular Weight
g/mol
748.2494
Exact Mass
Da
80.4
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
11
H-Bond Acceptors
402
Complexity
SMILES
Canonical SMILES
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.ClIsomeric SMILES
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.ClSynonyms(20)
Paroxetine hydrochloride hemihydrate110429-35-1Paroxetine hydrochloride hydrateDTXSID101017095Aeopax(3s-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride HemihydrateRefChem:858693DTXCID701476223Paroxetine Hydrochloride, Hemihydrate(3S,4R)-3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine monohydrochloride hemihydratePaxil(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride hemihydratePAROXETINE HCL HEMIHYDRATESeroxatMFCD23843784
Data from PubChem (NCBI)
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