Cas no 113932-41-5 (Tematropium methylsulfate)

Tematropium methylsulfate is a quaternary ammonium anticholinergic compound primarily used as a bronchodilator in the management of chronic obstructive pulmonary disease (COPD) and asthma. Its key advantages include high affinity for muscarinic receptors, leading to prolonged bronchodilation with minimal systemic absorption. The methylsulfate moiety enhances solubility and stability, ensuring consistent pharmacokinetic performance. The compound exhibits selective M1/M3 receptor antagonism, reducing bronchoconstriction while mitigating side effects associated with non-selective anticholinergics. Its long duration of action allows for once- or twice-daily dosing, improving patient compliance. Tematropium methylsulfate is typically administered via inhalation, ensuring targeted pulmonary delivery with low cardiovascular or central nervous system exposure.
Tematropium methylsulfate structure
Tematropium methylsulfate structure
Product Name:Tematropium methylsulfate
CAS No:113932-41-5
MF:C21H31NO8S
MW:457.537745714188
CID:160927
PubChem ID:23725042
Update Time:2025-10-29

Tematropium methylsulfate Chemical and Physical Properties

Names and Identifiers

    • 8-Azoniabicyclo[3.2.1]octane,3-(3-ethoxy-1,3- dioxo-2-phenylpropoxy)-8,8-dimethyl-,(3- endo)-,methyl sulfate
    • 3-[(3-Ethoxy-3-oxo-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabi cyclo[3.2.1]octane methyl sulfate
    • 8-Azoniabicyclo[3.2.1]octane,3-(3-ethoxy-1,3- dioxo-2-phenylpropoxy)-8,8-dimethyl-,(3- endo)-,...
    • HGP6
    • 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium methyl sulfate (salt), (+-)-ethyl hydrogen phenylmalonate
    • 8-Azoniabicyclo(3.2.1)octane, 3-(3-ethoxy-1,3-dioxo-2-phenylpropoxy)-8,8-dimethyl-, endo-(+-)-, methyl sulfate
    • UNII-2T52M232D8
    • CDDD3602
    • hgp-6
    • CDDD 3602
    • 2T52M232D8
    • D06061
    • Q27255565
    • 1-O-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-O-ethyl 2-phenylpropanedioate;methyl sulfate
    • 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium methyl sulfate (salt),
    • Tematropium methylsulfate [USAN]
    • Tematropium metilsulfate (INN)
    • Tematropium methylsulfate?
    • EX-A8348
    • 8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-ETHOXY-1,3-DIOXO-2-PHENYLPROPOXY)-8,8-DIMETHYL-, ENDO-(+/-)-, METHYL SULPHATE
    • 8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-ETHOXY-1,3-DIOXO-2-PHENYLPROPOXY)-8,8-DIMETHYL-, ENDO-(+/-)-, METHYL SULFATE
    • Tematropium
    • AC-37095
    • AKOS040732762
    • Tematropium metilsulfate
    • 113932-41-5
    • HY-U00203
    • Tematropium metilsulfate [INN]
    • Tematropium methylsulfate (USAN)
    • Tematropium metilsulphate
    • Tematropium?
    • TEMATROPIUM METHYLSULFATE
    • tematropium methyl sulfate
    • CS-7312
    • Tematropium methylsulphate
    • CDDD-3602
    • CHEBI:140113
    • TS-07722
    • DA-62147
    • 1-O-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-O-ethyl 2-phenylpropanedioate;methyl sulfate
    • G12851
    • Tematropium methylsulfate
    • Inchi： 1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/t15-,16+,17?,18?;
    • InChI Key： YLMCBOIUJONUGH-JFHFZLIBSA-M
    • SMILES： S(=O)(=O)([O-])OC.O(C(C(C(=O)OCC)C1C=CC=CC=1)=O)C1C[C@H]2CC[C@@H](C1)[N+]2(C)C

Computed Properties

  • Exact Mass: 457.17703812 g/mol
  • Monoisotopic Mass: 457.17703812 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 7
  • Complexity: 573
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 127
  • Molecular Weight: 457.5

Tematropium methylsulfate Security Information

  • Storage Condition：Please store the product under the recommended conditions in the Certificate of Analysis.

Tematropium methylsulfate Pricemore >>

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