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    Terguride hydrogen maleate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dironyl, 37686-85-4, U5wjp6r7ah, Mysalfon, 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(z)-but-2-enedioic acid, Vufb-6638
    Molecular Formula
    C24H32N4O5
    Molecular Weight
    456.5  g/mol
    InChI Key
    SORAZNWVQFKAFD-IBIFCFAISA-N
    FDA UNII
    U5WJP6R7AH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid
    2.1.2 InChI
    InChI=1S/C20H28N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16+,18+;/m0./s1
    2.1.3 InChI Key
    SORAZNWVQFKAFD-IBIFCFAISA-N
    2.1.4 Canonical SMILES
    CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U5WJP6R7AH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dironyl

    2. Dironyl Maleate (1:1)

    3. N-(d-6-methyl-8-isoergolin-1-yl)-n',n'-diethylurea

    4. Terguride

    5. Transdihydrolisuride

    6. Vufb 6638

    2.3.2 Depositor-Supplied Synonyms

    1. Dironyl

    2. 37686-85-4

    3. U5wjp6r7ah

    4. Mysalfon

    5. 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(z)-but-2-enedioic Acid

    6. Vufb-6638

    7. Sh-406

    8. Zk-31224

    9. Unii-u5wjp6r7ah

    10. Vufb6638

    11. Einecs 253-625-8

    12. Trans-9,10-dihydrolisuride Hydrogen Maleate

    13. Schembl4930773

    14. Terguride Hydrogenmaleate

    15. 1-((5r,8s,10r)-6-methyl-8-ergolinyl)-3,3-diethylurea Hydrogen Maleate

    16. N,n-diethyl-n'-((8-alpha)-6-methylergolin-8-yl)urea (z)-2-butenedioate

    17. N,n-diethyl-n'-(d-6-methyl-10alpha-isoergolin-8-yl)urea Hydrogen Maleate

    18. Terguride Hydrogen Maleate [mi]

    19. Terguride Hydrogenmaleate [who-dd]

    20. Q27290724

    21. N,n-diethyl-n'-((8alpha)-6-methylergolin-8-yl)uronium Hydrogen Maleate (1:1)

    22. N,n-diethyl-n'-(d-6-methyl-10.alpha.-isoergolin-8-yl)urea Hydrogen Maleate

    23. Urea, N,n-diethyl-n'-((8-alpha)-6-methylergolin-8-yl)-, (z)-2-butenedioate (1:1)

    24. Urea, N,n-diethyl-n'-((8.alpha.)-6-methylergolin-8-yl)-, (2z)-2-butenedioate (1:1)

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 456.5 g/mol
    Molecular Formula C24H32N4O5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass456.23727013 g/mol
    Monoisotopic Mass456.23727013 g/mol
    Topological Polar Surface Area126 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity613
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dopamine Agonists

    Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)