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    Mivacurium Chloride

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    2D Structure
    Also known as: Mivacron, 106861-44-3, Mivacurium chloride (mixture of isomers), Bw-b 1090u, Mivacurium (dichloride), Bis[3-[(1r)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propyl] (e)-oct-4-enedioate;dichloride
    Molecular Formula
    C58H80Cl2N2O14
    Molecular Weight
    1100.2  g/mol
    InChI Key
    WMSYWJSZGVOIJW-ONUALHDOSA-L
    An isoquinoline derivative that is used as a short-acting non-depolarizing agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate;dichloride
    2.1.2 InChI
    InChI=1S/C58H80N2O14.2ClH/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10;;/h13-14,31-38,45-46H,15-30H2,1-12H3;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59?,60?;;/m1../s1
    2.1.3 InChI Key
    WMSYWJSZGVOIJW-ONUALHDOSA-L
    2.1.4 Canonical SMILES
    C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
    2.1.5 Isomeric SMILES
    C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bw B 1090u

    2. Bw B1090u

    3. Bw-b 1090u

    4. Bw-b-1090u

    5. Bw-b1090u

    6. Bwb 1090u

    7. Bwb1090u

    8. Mivacron

    9. Mivacurium

    2.2.2 Depositor-Supplied Synonyms

    1. Mivacron

    2. 106861-44-3

    3. Mivacurium Chloride (mixture Of Isomers)

    4. Bw-b 1090u

    5. Mivacurium (dichloride)

    6. Bis[3-[(1r)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propyl] (e)-oct-4-enedioate;dichloride

    7. Bwb109ou

    8. Bw B109ou Dichloride

    9. Mivacurii Chloridum

    10. Mivacurii Chloridum [latin]

    11. Cloruro De Mivacurio

    12. Cloruro De Mivacurio [spanish]

    13. Chlorure De Mivacurium

    14. Chlorure De Mivacurium [french]

    15. Ncgc00167469-01

    16. Mivacurium Chloride [usan:inn:ban]

    17. Unii-600zg213c3

    18. Bw-b1090u

    19. Mivacron (tn)

    20. Mivacron In Dextrose 5% In Plastic Container

    21. Bw B1090u Dichloride

    22. Chembl984

    23. Dsstox_cid_26649

    24. Dsstox_rid_81794

    25. Dsstox_gsid_46649

    26. Schembl41232

    27. (r)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium Chloride, (e)-4-octenedioate (2:1)

    28. Bw-b109ou Dichloride

    29. Bw-1090u Dichloride

    30. Chebi:6959

    31. Dtxsid5046649

    32. Schembl10666657

    33. Hy-b1700a

    34. Mivacurium Chloride (usan/inn)

    35. Hms3886m16

    36. Tox21_112473

    37. Akos025311198

    38. 600zg213c3

    39. Isoquinolinium, 2,2'-((1,8-dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, Dichloride, (r-(r*,r*-(e)))-

    40. Cas-106861-44-3

    41. Cs-0013697

    42. D00763

    43. Q27263131

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 1100.2 g/mol
    Molecular Formula C58H80Cl2N2O14
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count30
    Exact Mass1098.4986606 g/mol
    Monoisotopic Mass1098.4986606 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count76
    Formal Charge0
    Complexity1550
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count1
    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

    M03AC10 - Mivacurium chloride