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propiverine - Compound Summary (CID 4942)

anticholinergic used for overactive bladder syndrome


Drug and Chemical Information: (Total:1)         

Pharmacological Action

Parasympatholytics - Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Cholinergic Antagonists - Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists.


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Molecular Mechanisms of Pharmacological Action
                  Neurotransmitter Agents
                        Cholinergic Agents
                              Cholinergic Antagonists
            Physiological Effects of Drugs
                  Neurotransmitter Agents
                        Cholinergic Agents
                              Cholinergic Antagonists
                  Peripheral Nervous System Agents
                        Autonomic Agents
                              Parasympatholytics


Safety and Toxicology

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

TOXLINE - Citations to the toxicological literature


Literature

Literature Keyword Mining Tool


Depositor-Supplied Synonyms: (Total: 18)
Display: Next 8 | All | Sort:


Properties Computed from Structure:
Molecular Weight367.48126 [g/mol]
Molecular FormulaC23H29NO3
XLogP3-AA4.7
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count8
Exact Mass367.214744
MonoIsotopic Mass367.214744
Topological Polar Surface Area38.8
Heavy Atom Count27
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: (1-methylpiperidin-4-yl) 2,2-di(phenyl)-2-propoxyacetate
Canonical SMILES: CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C
InChI: InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,
20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,
1-2H3

InChIKey: QPCVHQBVMYCJOM-UHFFFAOYSA-N


Compound Information:
CID 4942   
Create Date: 2005-03-25

Related Compounds:
Same, Connectivity: 2 Links

Similar Compounds: 243 Links
Similar Conformers: 94 Links    View Conformers


Substance Information:
Substances:
    All: 19 Links
    Same structure: 9 Links
    Mixture: 10 Links

Category: [for same structure substances]
Biological Properties: 2 Links
   DiscoveryGate ( 1 )
SID 8153048 - External ID: 4942
   LeadScope ( 1 )
SID 50064974 - External ID: LS-176106

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 14755156 - External ID: 00000027

Metabolic Pathways: 1 Link
   KEGG ( 1 )
SID 10054 - External ID: C07852

NIH Molecular Libraries: 1 Link
   NCGC ( 1 )
SID 50125813 - External ID: NCGC00181103-01

Physical Properties: 1 Link
   NIST ( 1 )
SID 10439412 - External ID: 1083147852

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 29224020 - External ID: 4773

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 5371510 - External ID: 3968272

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 210939 - External ID: 060569199

     

2D

3D

Compound ID4942
Molecular Weight367.48126 [g/mol]
Molecular FormulaC23H29NO3
XLogP3-AA4.7
H-Bond Donor0
H-Bond Acceptor4


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