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    Technical details about (6,11-Dihydro-5H-Dibenzo[B,E]Azepin-6-Yl)Methanamine Fumarate, learn more about the structure, uses, toxicity, action, side effects and more

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    (6,11-Dihydro-5H-Dibenzo[B,E]Azepin-6-Yl)Methanamine Fumarate

    Manufacturers/Suppliers

    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: 127785-96-0, 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine (e)-2-butenedioate, (e)-but-2-enedioic acid;6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethanamine, Schembl5367297, Schembl11256018, (6,11-dihydro-5h-dibenzo[b,e]azepin-6-yl)methanaminefumarate
    Molecular Formula
    C19H20N2O4
    Molecular Weight
    340.4  g/mol
    InChI Key
    IUQYGXGUFNMQGL-WLHGVMLRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethanamine
    2.1.2 InChI
    InChI=1S/C15H16N2.C4H4O4/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15;5-3(6)1-2-4(7)8/h1-8,15,17H,9-10,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
    2.1.3 InChI Key
    IUQYGXGUFNMQGL-WLHGVMLRSA-N
    2.1.4 Canonical SMILES
    C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=C/C(=O)O)\C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 127785-96-0

    2. 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine (e)-2-butenedioate

    3. (e)-but-2-enedioic Acid;6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethanamine

    4. Schembl5367297

    5. Schembl11256018

    6. (6,11-dihydro-5h-dibenzo[b,e]azepin-6-yl)methanaminefumarate

    7. Bcp13637

    8. Mfcd11865145

    9. Akos015900707

    10. 5h-dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-, (2e)-2-butenedioate (1:1)

    11. Bs-14927

    12. Cs-0155926

    13. Epinastine Hydrochloride Intermediate Product

    14. 785a960

    15. A857230

    16. 6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethylazanium;(e)-4-hydroxy-4-oxobut-2-enoate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 340.4 g/mol
    Molecular Formula C19H20N2O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass340.14230712 g/mol
    Monoisotopic Mass340.14230712 g/mol
    Topological Polar Surface Area113 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity372
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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