Cimetropium

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Cimetropium
Accession Number
DB09271
Type
Small Molecule
Groups
Experimental, Investigational
Description

Cimetropium is a semi-synthetic belladonna alkaloid and derivative of scopolamine. It is a potent antimuscarinic and an effective antispasmodic drug. It is also endowed of a direct myolitic action which partially accounts for its antispasmodic activity. It has never been approved for use in the U.S. or Canada.

Structure
Thumb
Synonyms
  • Cimetropium cation
  • Cimetropium ion
Product Ingredients
IngredientUNIICASInChI Key
Cimetropium bromide0C7M5WE60Q51598-60-8WDURTRGFUGAJHA-GSWUYBTGSA-M
Categories
UNII
1N3H74AYTK
CAS number
150521-16-7
Weight
Average: 358.457
Monoisotopic: 358.201284806
Chemical Formula
C21H28NO4
InChI Key
QVVOZYKELHAIPX-WVHCHWADSA-N
InChI
InChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1
IUPAC Name
(1R,2R,4S,5S,7S)-9-(cyclopropylmethyl)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium
SMILES
[H][C@](CO)(C(=O)O[C@@]1([H])C[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1)[N+]2(C)CC1CC1)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcetylcholineAcetylcholine may decrease the anticholinergic activities of Cimetropium.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with Cimetropium.
AmitriptylineThe risk or severity of adverse effects can be increased when Amitriptyline is combined with Cimetropium.
AmoxapineThe risk or severity of adverse effects can be increased when Amoxapine is combined with Cimetropium.
Anisotropine methylbromideThe risk or severity of adverse effects can be increased when Anisotropine methylbromide is combined with Cimetropium.
ArecolineArecoline may decrease the anticholinergic activities of Cimetropium.
AripiprazoleThe risk or severity of adverse effects can be increased when Aripiprazole is combined with Cimetropium.
AtropineThe risk or severity of adverse effects can be increased when Atropine is combined with Cimetropium.
BatefenterolThe risk or severity of adverse effects can be increased when Batefenterol is combined with Cimetropium.
BenactyzineThe risk or severity of adverse effects can be increased when Benactyzine is combined with Cimetropium.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
  1. Scarpignato C, Bianchi Porro G: Cimetropium bromide, a new antispasmodic compound: pharmacology and therapeutic perspectives. Int J Clin Pharmacol Res. 1985;5(6):467-77. [PubMed:3912339]
External Links
KEGG Drug
D07099
PubChem Compound
20054871
PubChem Substance
310265166
ChemSpider
28529144
ChEBI
135516
ChEMBL
CHEMBL2110773
Wikipedia
Cimetropium_bromide
ATC Codes
A03BB05 — Cimetropium bromide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusDiagnosticColonoscopy1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00244 mg/mLALOGPS
logP0.45ALOGPS
logP-2.5ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)15.15ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area59.06 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity107.58 m3·mol-1ChemAxon
Polarizability38.5 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Sub Class
Beta hydroxy acids and derivatives
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Benzene and substituted derivatives / Piperidines / Morpholines / N-alkylpyrrolidines / Tetraalkylammonium salts / Carboxylic acid esters / Azacyclic compounds / Oxacyclic compounds / Dialkyl ethers / Epoxides
show 7 more
Substituents
Beta-hydroxy acid / Monocyclic benzene moiety / Morpholine / Oxazinane / Piperidine / N-alkylpyrrolidine / Benzenoid / Tetraalkylammonium salt / Pyrrolidine / Quaternary ammonium salt
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 28, 2015 13:38 / Updated on June 04, 2019 07:10