Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    Desvenlafaxine Fumarate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DRUG PRODUCT COMPOSITIONS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: O-desmethylvenlafaxine fumarate, 93414-04-1, Atx24e9m6l, (e)-but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (e)-2-butenedioate (1:1) (salt), Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2e)-2-butenedioate (1:1) (salt)
    Molecular Formula
    C20H29NO6
    Molecular Weight
    379.4  g/mol
    InChI Key
    SQTJDJZCPOSWSC-WLHGVMLRSA-N
    FDA UNII
    ATX24E9M6L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
    2.1.2 InChI
    InChI=1S/C16H25NO2.C4H4O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
    2.1.3 InChI Key
    SQTJDJZCPOSWSC-WLHGVMLRSA-N
    2.1.4 Canonical SMILES
    CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=C/C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ATX24E9M6L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. O-desmethylvenlafaxine Fumarate

    2. 93414-04-1

    3. Atx24e9m6l

    4. (e)-but-2-enedioic Acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

    5. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (e)-2-butenedioate (1:1) (salt)

    6. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2e)-2-butenedioate (1:1) (salt)

    7. Unii-atx24e9m6l

    8. Schembl521350

    9. Schembl3400998

    10. Dtxsid901027852

    11. Desvenlafaxine Fumarate [usp-rs]

    12. Desvenlafaxine Fumarate [who-dd]

    13. Desvenlafaxine Fumarate [orange Book]

    14. Desvenlafaxine Fumarate Anhydrous [mi]

    15. Desvenlafaxine Fumarate [usp Monograph]

    16. Q27274120

    17. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2z)-2-butenedioate (1:1)

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 379.4 g/mol
    Molecular Formula C20H29NO6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass379.19948764 g/mol
    Monoisotopic Mass379.19948764 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity385
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2