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    Technical details about Doxacurium, learn more about the structure, uses, toxicity, action, side effects and more

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    Doxacurium

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Bw a938u dichloride, Doxacurium (chloride), Bw-a938u, 106819-53-8, Meso doxacurium chloride, Doxacurium chloride [mi]
    Molecular Formula
    C56H78Cl2N2O16
    Molecular Weight
    1106.1  g/mol
    InChI Key
    APADFLLAXHIMFU-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate;dichloride
    2.1.2 InChI
    InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2
    2.1.3 InChI Key
    APADFLLAXHIMFU-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2,2'-((1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl))bis(6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium) Dichloride

    2. Bw A938u

    3. Bw-a 938u

    4. Bw-a-938u

    5. Bw-a938u

    6. Doxacurium

    7. Nuromax

    2.2.2 Depositor-Supplied Synonyms

    1. Bw A938u Dichloride

    2. Doxacurium (chloride)

    3. Bw-a938u

    4. 106819-53-8

    5. Meso Doxacurium Chloride

    6. Doxacurium Chloride [mi]

    7. Doxacurium Chloride, Meso-

    8. Unii-m78tvm3g5z

    9. Nuromax (tn)

    10. Bw-938u Dichloride

    11. Doxacurium Chloride [inn]

    12. Doxacurium Chloride [usan]

    13. M78tvm3g5z

    14. Doxacurium Chloride [vandf]

    15. Doxacurium Chloride [mart.]

    16. Doxacurium Chloride [who-dd]

    17. Schembl1649198

    18. Chembl1237099

    19. Doxacurium Chloride (usan/inn)

    20. Doxacurium Chloride [usan:inn]

    21. Hy-a0215

    22. Doxacurium Chloride [orange Book]

    23. Cs-0017562

    24. D00760

    25. Q5303681

    26. 2,2'-((1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl))bis(6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium) Dichloride

    27. 83348-52-1

    28. Bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propyl] Butanedioate;dichloride

    29. Isoquinolinium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, Dichloride

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 1106.1 g/mol
    Molecular Formula C56H78Cl2N2O16
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count29
    Exact Mass1104.4728398 g/mol
    Monoisotopic Mass1104.4728398 g/mol
    Topological Polar Surface Area163 Ų
    Heavy Atom Count76
    Formal Charge0
    Complexity1540
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Neuromuscular Nondepolarizing Agents

    Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants. (See all compounds classified as Neuromuscular Nondepolarizing Agents.)

    4.2 ATC Code

    M - Musculo-skeletal system

    M03 - Muscle relaxants

    M03A - Muscle relaxants, peripherally acting agents

    M03AC - Other quaternary ammonium compounds

    M03AC07 - Doxacurium chloride