ChemSpider 2D Image | Butylscopolamine | C21H30BrNO4

Butylscopolamine

  • Molecular FormulaC21H30BrNO4
  • Average mass440.371 Da
  • Monoisotopic mass439.135803 Da
  • ChemSpider ID16736107

  • Charge - Charge

    defined stereocentres - 6 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(-)-N-Butylscopolamine bromide
(-)-Scopolamine Butylbromide
(-)-SCOPOLAMINE N-BUTYL BROMIDE
(1R,2R,4S,5S,7s,9S)-9-Butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonanbromid [German] [ACD/IUPAC Name]
(1R,2R,4S,5S,7s,9S)-9-Butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide [ACD/IUPAC Name]
[7(S)-(1a,2b,4b,5a,7b)]-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide
205-744-1 [EINECS]
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-butyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide, (1R,2R,4S,5S)- (1:1) [ACD/Index Name]
3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-butyl-7-[[(2S)-3-hydroxy-1-oxo-2-phenylpropyl]oxy]-9-methyl-, bromide, (1R,2R,4S,5S)-
8-Butyl-6b,7b-epoxy-3a-hydroxy-1aH,5aH-tropanium Bromide(-)Tropate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0GH9JX37C8 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. ChEBI CHEBI:32123

    • Bio Activity:

      GPCR/G protein MedChem Express HY-N0340
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-N0340
      mAChR MedChem Express HY-N0340
      Scopolamine butylbromide is a competitive antagonist of muscarinic acetylcholine receptor (mAChR) with an IC50 of 55.3 ? 4.3 nM.; Target: mAChR; Scopolamine (USAN), also known as levo-duboisine and hyoscine, sold as Scopoderm, is a tropane alkaloid drug with muscarinic antagonist effects. MedChem Express HY-N0340
      Scopolamine butylbromide is a competitive antagonist of muscarinic acetylcholine receptor (mAChR) with an IC50 of 55.3 ? 4.3 nM.;Target: mAChRScopolamine (USAN), also known as levo-duboisine and hyoscine, sold as Scopoderm, is a tropane alkaloid drug with muscarinic antagonist effects. It is among the secondary metabolites of plants from Solanaceae (nightshade) family of plants, such as henbane, jimson weed (Datura), angel's trumpets (Brugmansia), and corkwood (Duboisia). Scopolamine exerts its effects by acting as a competitive antagonist at muscarinic acetylcholine receptors, specifically M1 receptors; it is thus classified as an anticholinergic, antimuscarinic drug. ;Its use in medicine is relatively limited, with its chief uses being in the treatment of motion sickness and postoperative nausea and vomiting. Scopolamine is named after the plant genus Scopolia. The name hyoscine is from the scientific name for henbane, Hyoscyamus niger. MedChem Express HY-N0340
      Scopolamine butylbromide is a competitive antagonist of muscarinic acetylcholine receptor (mAChR) with an IC50 of 55.3 ± 4.3 nM. MedChem Express

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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