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    Tubocurarine Chloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Tubocurarine chloride, Sr-05000001878, 6989-98-6, 57-94-3, Chembl1687, Schembl41170
    Molecular Formula
    C37H41ClN2O6
    Molecular Weight
    645.2  g/mol
    InChI Key
    MHXYWXHKLBMJKL-QBYKQQEBSA-N
    A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride
    2.1.2 InChI
    InChI=1S/C37H40N2O6.ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);1H/t28-,29+;/m0./s1
    2.1.3 InChI Key
    MHXYWXHKLBMJKL-QBYKQQEBSA-N
    2.1.4 Canonical SMILES
    CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-]
    2.1.5 Isomeric SMILES
    CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. D-tubocurare

    2. D-tubocurarine

    3. Tubocurare

    4. Tubocurarine

    5. Tubocurarine Chloride

    2.2.2 Depositor-Supplied Synonyms

    1. Tubocurarine Chloride

    2. Sr-05000001878

    3. 6989-98-6

    4. 57-94-3

    5. Chembl1687

    6. Schembl41170

    7. Spectrum1500602

    8. Hms2092c04

    9. Pharmakon1600-01500602

    10. Ccg-39898

    11. Nsc757362

    12. Sr-05000001878-1

    13. Sr-05000001878-3

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 645.2 g/mol
    Molecular Formula C37H41ClN2O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count2
    Exact Mass644.2653147 g/mol
    Monoisotopic Mass644.2653147 g/mol
    Topological Polar Surface Area80.6 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity990
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    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.)