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    Technical details about MolPort-002-052-043, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-002-052-043

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 83891-03-6, Desmethylfluoxetine, 56161-73-0, 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine, 3-phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine
    Molecular Formula
    C16H16F3NO
    Molecular Weight
    295.30  g/mol
    InChI Key
    WIQRCHMSJFFONW-UHFFFAOYSA-N
    FDA UNII
    K8D70XE2F4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
    2.1.2 InChI
    InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
    2.1.3 InChI Key
    WIQRCHMSJFFONW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    K8D70XE2F4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Desmethylfluoxetine

    2. Norfluoxetin

    3. Norfluoxetine Hydrochloride

    4. Norfluoxetine, (+-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 83891-03-6

    2. Desmethylfluoxetine

    3. 56161-73-0

    4. 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

    5. 3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine

    6. 3-phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine

    7. K8d70xe2f4

    8. Benzenepropanamine, Gamma-(4-(trifluoromethyl)phenoxy)-

    9. Benzenepropanamine, Gamma-[4-(trifluoromethyl)phenoxy]-

    10. Unii-k8d70xe2f4

    11. Gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine

    12. Chembl1494

    13. Gtpl208

    14. Schembl686500

    15. Dtxsid80866540

    16. Chebi:180876

    17. (+/-)-desmethylfluoxetine

    18. Bcp20944

    19. Bdbm50180661

    20. Nsc675448

    21. Akos015911091

    22. Norfluoxetine Hcl;n-desmethylfluoxetine

    23. Nsc-675448

    24. Sb32578

    25. Sb32682

    26. Sb38941

    27. Ft-0673087

    28. Ft-0673088

    29. Ft-0673089

    30. 3-(4-trifluoromethylphenoxy)-3-phenylproplyamine

    31. A840679

    32. L001023

    33. Q7452012

    34. 3-phenyl-3-[4-(triluoromethyl)phenoxy]propan-1-amine

    35. 3-phenyl-3[4'-trifluoromethyl-phenoxy]-propan-1-amine

    36. 3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine #

    37. Benzenepropanamine, .gamma.-[4-(trifluoromethyl)phenoxy]-

    38. Benzenepropanamine, Gamma-[4-(trifluoromethyl)phenoxy]-, (+/-)-

    39. Benzenepropanamine, .gamma.-(4-(trifluoromethyl)phenoxy)-, (+/-)-

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 295.30 g/mol
    Molecular Formula C16H16F3NO
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass295.11839862 g/mol
    Monoisotopic Mass295.11839862 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity294
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Norfluoxetine is a known human metabolite of Fluoxetine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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