Basic information
- CAS
83891-03-6- Standard SMILES
NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1- InChIKey
WIQRCHMSJFFONW-UHFFFAOYSA-N- Molecular formula
- C16H16F3NO
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.11839862
Overview
Norfluoxetine is a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- Norfluoxetine
- IUPAC
- 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
- English name
- Norfluoxetine hydrochloride
- Molecular formula
- C16H16F3NO
- Molecular weight
- 295.3
Names & synonyms
Norfluoxetine83891-03-6Desmethylfluoxetine3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineK8D70XE2F4DTXSID80866540NorfluoxetinRefChem:166615DTXCID501999783-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine56161-73-0
Show more names
NORFLUOXETINE HCLFurfural Impurity 6N-desmethylfluoxetineNorfluoxetine hydrochlorideBenzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-Benzenepropanamine, g-[4-(trifluoromethyl)phenoxy]-Fluoxetine Impurity 8 Monomer(Fluoxetine EP Impurity H)3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE HYDROCHLORIDE(±)-γ-(4-trifluoromethylphenoxy)benzenepropanamine hydrochloride3-[4-(TRIFLUOROMETHYL)PHENOXY]-3-PHENYLPROPAN-1-AMINE HYDROCHLORIDE
C16H16F3NOgamma-(4-(Trifluoromethyl)phenoxy)benzenepropanamineCHEBI:180876(+/-)-DESMETHYLFLUOXETINESB38941(R)-3-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamineBenzenepropanamine, gamma-(4-(trifluoromethyl)phenoxy)-3-Phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine #
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
Chemical ClassesPharmaceutical
DrugsPharmaceuticals -> Metabolite of Fluoxetine
Human Drugs
Antidepressants -> Selective serotonin reuptake inhibitors (SSRI)
Pharmaceuticals
Collision Cross Section
173.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Antidepressants]
159.71 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 105 · 105-108°C
- Boiling point
- 381.1 · 381.1±42.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- 2 O: · H2O: >4 mg/mL
- form
- solid
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
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Norfluoxetine
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
Metabolism/MetabolitesNorfluoxetine is a known human metabolite of Fluoxetine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysFluoxetine Action Pathway
Uses & manufacturing
Use Classification
Pharmaceuticals -> Transformation products
Pharmaceuticals
Applications
UsesA metabolite of Fluoxetine (F597100), a selective serotonin reuptake inhibitor which is used as an antidepressant.
UsesA metabolite of Fluoxetine, a selective serotonin reuptake inhibitor which is used as an antidepressant.
Upstream & downstream products
Downstream products
Suppliers20 total
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
1 records
Compound notes
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