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    Ergonovine Maleate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

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    REF. STANDARDS & IMPURITIES

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    $ API Ref.Price (USD/KG) : 3,942Xls

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    2D Structure
    Also known as: Metriclavin, Ergometrin maleate, D-ergonovine maleate, Ergometrine acid maleate, Oxytocic, Ergot
    Molecular Formula
    C23H27N3O6
    Molecular Weight
    441.5  g/mol
    InChI Key
    YREISLCRUMOYAY-BTJKTKAUSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
    2.1.2 InChI
    InChI=1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    YREISLCRUMOYAY-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Metriclavin

    2. Ergometrin Maleate

    3. D-ergonovine Maleate

    4. Ergometrine Acid Maleate

    5. Oxytocic

    6. Ergot

    7. Ergonovine, Maleate (1:1) (salt)

    8. Ergonovine Maleate Salt

    9. Nsc93752

    10. Wln: T C6656 1a P Gn Lm Cutt & & J Evmy1 & 1q G1 & Ov1u1vo

    11. (z)-but-2-enedioic Acid;n-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide

    12. Ergoline-8-.beta.-carboxamide,10-didehydro-n-((s)-2-hydroxy-1-methylethyl)-6-methyl-, Maleate (1:1) (salt)

    13. Ergoline-8-carboxamide,10-didehydro-n-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(s)]-, (z)-2-butenedioate (1:1) (salt)

    14. Ergoline-8.beta.-carboxamide,10-didehydro-n-((s)-2-hydroxy-1-methylethyl)-6-methyl-, Maleate (1:1) (salt)

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 441.5 g/mol
    Molecular Formula C23H27N3O6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass441.18998559 g/mol
    Monoisotopic Mass441.18998559 g/mol
    Topological Polar Surface Area143 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity654
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2