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    Co-Dergocrine Mesilate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Ergoloid mesilates, Co-dergocrine mesylate, Dihydroergotoxine mesilate, Dihydrogenated ergot alkaloids, Chembl2311030, Dihydroergotoxine methanesulfonate
    Molecular Formula
    C134H184N20O32S4
    Molecular Weight
    2715.3  g/mol
    InChI Key
    PBKVEOSEPXMKDN-LZHUFOCISA-N
    A mixture of three different hydrogenated derivatives of ERGOTAMINE: DIHYDROERGOCORNINE; DIHYDROERGOCRISTINE; and DIHYDROERGOCRYPTINE. Dihydroergotoxine has been proposed to be a neuroprotective agent and a nootropic agent. The mechanism of its therapeutic actions is not clear, but it can act as an alpha-adrenergic antagonist and a dopamine agonist. The methanesulfonate salts of this mixture of alkaloids are called ERGOLOID MESYLATES.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C35H41N5O5.2C32H43N5O5.C31H41N5O5.4CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;4*1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);4*1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;20-,22-,24-,25+,26+,31-,32+;18?,20-,22-,24-,25+,27+,31-,32+;19-,21-,23-,24+,26+,30-,31+;;;;/m1111..../s1
    2.1.3 InChI Key
    PBKVEOSEPXMKDN-LZHUFOCISA-N
    2.1.4 Canonical SMILES
    CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alkaloids, Hydrogenated Ergot

    2. Co-dergocrine

    3. Dihydroergotoxin

    4. Dihydroergotoxine

    5. Ergot Alkaloids, Hydrogenated

    6. Circanol

    7. Co Dergine Mesylate

    8. Co Dergocrine Mesilate

    9. Co Dergocrine Mesylate

    10. Co-dergine Mesylate

    11. Co-dergocrine Mesilate

    12. Co-dergocrine Mesylate

    13. Dihydroergotoxine Mesylate

    14. Dihydroergotoxine Methanesulfonate

    15. Dihydroergotoxine Monomethanesulfonate

    16. Ergodesit

    17. Ergoloid Mesylate

    18. Ergoloid Mesylates

    19. Ergotoxin, Dihydro-, Monomethasulfonate

    20. Hydergine

    21. Methanesulfonate, Dihydroergotoxine

    22. Monomethanesulfonate, Dihydroergotoxine

    23. Redergam

    24. Redergin

    25. Redergine

    2.2.2 Depositor-Supplied Synonyms

    1. Ergoloid Mesilates

    2. Co-dergocrine Mesylate

    3. Dihydroergotoxine Mesilate

    4. Dihydrogenated Ergot Alkaloids

    5. Chembl2311030

    6. Dihydroergotoxine Methanesulfonate

    2.3 Create Date
    2013-09-23
    3 Chemical and Physical Properties
    Molecular Weight 2715.3 g/mol
    Molecular Formula C134H184N20O32S4
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count36
    Rotatable Bond Count19
    Exact Mass2714.2301933 g/mol
    Monoisotopic Mass2713.2268385 g/mol
    Topological Polar Surface Area724 Ų
    Heavy Atom Count190
    Formal Charge0
    Complexity4690
    Isotope Atom Count0
    Defined Atom Stereocenter Count28
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count8
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameErgoloid mesylates
    PubMed HealthErgoloid Mesylates (By mouth)
    Drug ClassesAntimigraine
    Drug LabelEach tablet for oral use contains ergoloid mesylates USP; a mixture of the methanesulfonate salt of the following hydrogenated alkaloids:RDihydroergocornine-CH(CH ) 32Dihydroergocristine-CH C H 265Dihydro--ergocryptine-CH CH(CH ) 232Dihydro--ergo...
    Active IngredientErgoloid mesylates
    Dosage FormTablet
    RouteOral
    Strength1mg
    Market StatusPrescription
    CompanyMutual Pharm

    2 of 2  
    Drug NameErgoloid mesylates
    PubMed HealthErgoloid Mesylates (By mouth)
    Drug ClassesAntimigraine
    Drug LabelEach tablet for oral use contains ergoloid mesylates USP; a mixture of the methanesulfonate salt of the following hydrogenated alkaloids:RDihydroergocornine-CH(CH ) 32Dihydroergocristine-CH C H 265Dihydro--ergocryptine-CH CH(CH ) 232Dihydro--ergo...
    Active IngredientErgoloid mesylates
    Dosage FormTablet
    RouteOral
    Strength1mg
    Market StatusPrescription
    CompanyMutual Pharm

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Adrenergic alpha-Antagonists

    Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)

    Dopamine Agonists

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

    Nootropic Agents

    Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)