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    Pipecuronium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

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    2D Structure
    Also known as: 52212-02-9, Pipecurium bromide, Arduan, Rgh-1106, Rgh 1106, R6zty81re1
    Molecular Formula
    C35H62Br2N4O4
    Molecular Weight
    762.7  g/mol
    InChI Key
    TXWBOBJCRVVBJF-YTGGZNJNSA-L
    FDA UNII
    R6ZTY81RE1
    A piperazinyl androstane derivative which is a non-depolarizing neuromuscular blocking agent (NEUROMUSCULAR NONDEPOLARIZING AGENTS). It is used as a muscle relaxant during ANESTHESIA and surgical procedures.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
    2.1.2 InChI
    InChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
    2.1.3 InChI Key
    TXWBOBJCRVVBJF-YTGGZNJNSA-L
    2.1.4 Canonical SMILES
    CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
    2.1.5 Isomeric SMILES
    CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    R6ZTY81RE1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Arduan

    2. Bromide, Pipecurium

    3. Bromide, Pipecuronium

    4. Dibromide Pipecuronium

    5. Dibromide, Dihydrate Pipecuronium

    6. Dihydrate Pipecuronium Dibromide

    7. Pipecurium

    8. Pipecurium Bromide

    9. Pipecuronium

    10. Pipecuronium Dibromide, (16 Alpha)-isomer

    11. Pipecuronium Dibromide, (17 Alpha)-isomer

    12. Pipecuronium Dibromide, (3 Beta)-isomer

    13. Pipecuronium Dibromide, Dihydrate

    14. Pipecuronium, Dibromide

    15. Rgh 1106

    16. Rgh-1106

    17. Rgh1106

    2.3.2 Depositor-Supplied Synonyms

    1. 52212-02-9

    2. Pipecurium Bromide

    3. Arduan

    4. Rgh-1106

    5. Rgh 1106

    6. R6zty81re1

    7. Pipecuronium Bromide Anhydrous

    8. Pipecuronium (bromide)

    9. [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] Acetate;dibromide

    10. Pipecuronium Bromide Hydrate

    11. Pipecuronio Bromuro [spanish]

    12. Einecs 257-740-4

    13. Unii-r6zty81re1

    14. Pipecuronium Bromide [usan:inn:ban]

    15. Ncgc00182708-01

    16. Dsstox_cid_3478

    17. Dsstox_rid_77044

    18. Dsstox_gsid_23478

    19. Schembl42154

    20. 4,4'-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1,1-dimethylpiperazinium)dibromide, Diacetate (ester)

    21. Chebi:8231

    22. Pipecurium Bromide [mi]

    23. Chembl1200722

    24. Dtxsid8023478

    25. Hy-b0743a

    26. Tqp0582

    27. Pipecuronium Bromide [inn]

    28. Pipecuronium Bromide [jan]

    29. Pipecuronium Bromide [usan]

    30. Pipecuronium Bromide [vandf]

    31. Tox21_113014

    32. Pipecuronium Bromide [mart.]

    33. Akos037653998

    34. Pipecuronium Bromide (jan/usan/inn)

    35. Ks-1465

    36. 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetoxy)androstane-2,16-diyl)bis(1,1-dimethylpiperazinium) Dibromide

    37. Pipecuronium Bromide [orange Book]

    38. Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-, Dibromide

    39. Piperazinium, 4,4'-(3,17-dihydroxyandrostan-2,16-diyl)bis(1,1-dimethyl-, Dibromide, Diacetate

    40. Cas-52212-02-9

    41. Cs-0009634

    42. D00764

    43. A828983

    44. Q-101016

    45. Q4363210

    46. (2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane Dibromide

    47. 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-piperazinium) Dibromide

    48. 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-piperazinium)dibromide

    49. 4,4'-(3.alpha.,17.beta.-dihydroxy-5.alpha.-androstan-2.beta.,16.beta.-ylene)bis(1,1-dimethylpiperazinium)dibromide, Diacetate (ester)

    50. 4,4\'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-piperazinium) Dibromide

    51. Piperazinium, 4,4'-((2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-, Dibromide

    52. Piperazinium, 4,4'-[(2

    53. A,3

    54. A,5

    55. A,16

    56. A,17

    57. A)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1,1-dimethyl-, Dibromide (9ci)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 762.7 g/mol
    Molecular Formula C35H62Br2N4O4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass762.31173 g/mol
    Monoisotopic Mass760.31378 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    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.)

    Nicotinic Antagonists

    Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses. (See all compounds classified as Nicotinic Antagonists.)

    4.2 ATC Code

    M - Musculo-skeletal system

    M03 - Muscle relaxants

    M03A - Muscle relaxants, peripherally acting agents

    M03AC - Other quaternary ammonium compounds

    M03AC06 - Pipecuronium bromide