Basic information
- CAS
72471-80-8- Standard SMILES
CC(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1- InChIKey
RQBJOWKBGCDPOS-RVXRQPKJSA-N- Molecular formula
- C21H24FNO5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.16385103
Overview
See also: Paroxetine (has active moiety); Paroxetine Hydrochloride (related).
Names & identifiers
- Preferred name
- Paroxetine Acetate
- IUPAC
- acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Names & synonyms
Paroxetine Acetate72471-80-8YPO0NTK49ODTXSID70222772PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, ACETATE (1:1), (3S,4R)-RefChem:170111DTXCID00145263615-763-0UNII-YPO0NTK49OPiperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-, acetateorb3237301SCHEMBL4200728
Show more names
PAROXETINE ACETATE [WHO-DD]acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidineNS00076380Q27294647(3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine acetateAcetic acid--(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-fluorophenyl)piperidine (1/1)Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-, acetate (1:1)
Database identifiers
- CAS
72471-80-8- PubChem CID
- 9800501
- DTXSID
DTXSID70222772- UNII
- YPO0NTK49O
- EC Number
- 615-763-0
Properties
Computed structural properties
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 433
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A structurally and mechanistically diverse group of drugs that are not tricyclics or monoamine oxidase inhibitors. The most clinically important appear to act selectively on serotonergic systems, especially by inhibiting serotonin reuptake.
Compounds that specifically inhibit the reuptake of serotonin in the brain.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2D6.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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