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Isopropamide

July 24, 2017
Common Name

Isopropamide Description

Isopropamide is only found in individuals that have used or taken this drug. It is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic licer and other gastrointestinal disorders marked by hyperacidity and hypermotility.Anticholinergics are a class of medications that inhibit parasympathetic nerve implises by selectively blocking the binding of the neurotransmitter acetylcholine to its receptor in nerve cells. The nerve fibers of the parasympathetic system are responsible for the involuntary movements of smooth muscles present in the gastrointestinal tract. Inhibition here decreases acidity and motility, aiding in the treatment of gastrointestinal disorders. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2,2-Diphenyl-4-diisopropylaminobutyramide methiodideHMDB 4-(diisopropylamino)-2,2-Diphenylbutyramide methiodideHMDB ChloroisopropamideHMDB Isopropamide iodideHMDB Isoproponum iodideHMDB

Chemical Formlia

C23H33N2O Average Molecliar Weight

353.5209 Monoisotopic Molecliar Weight

353.259288688 IUPAC Name

(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium Traditional Name

isopropamide CAS Registry Number

7492-32-2 SMILES

CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C

InChI Identifier

InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1

InChI Key

JTPUMZTWMWIVPA-UHFFFAOYSA-O Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Benzene and substituted derivatives Direct Parent

Diphenylmethanes Alternative Parents

  • Aralkylamines
  • Tetraalkylammonium salts
  • Carboximidic acids
  • Organopnictogen compounds
  • Organooxygen compounds
  • Organic salts
  • Hydrocarbon derivatives
  • Organic cations

    • Substituents

  • Diphenylmethane
  • Aralkylamine
  • Quaternary ammonium salt
  • Tetraalkylammonium salt
  • Carboximidic acid derivative
  • Carboximidic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic salt
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic cation
  • Aromatic homomonocyclic compound

    • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

  • diarylmethane (CHEBI:6043 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Gastrointestinal Agents

    • Application

  • Pharmaceutical

    • Cellliar locations

  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility4.24e-05 g/LNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility4.24e-05 mg/mLALOGPS logP2.27ALOGPS logP0.14ChemAxon logS-7ALOGPS pKa (Strongest Acidic)16.31ChemAxon pKa (Strongest Basic)-3.3ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count1ChemAxon Polar Surface Area43.09 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity120.74 m3·mol-1ChemAxon Polarizability41.28 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

  • Membrane

    • Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01625

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01625

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01625 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    3643 KEGG Compound ID

    C07055 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Isopropamide_iodide NuGOwiki Link

    HMDB15562 Metagene Link

    HMDB15562 METLIN ID

    Not Available PubChem Compound

    3775 PDB ID

    Not Available ChEBI ID

    775183

    Product: Ketorolac

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    Enzymes

    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Primary transducing effect is Pi turnover
    Gene Name:
    CHRM3
    Uniprot ID:
    P20309
    Molecular weight:
    66127.4
    References
    1. Eglen RM, Whiting RL: Competitive and non-competitive antagonism exhibited by selective antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7. [PubMed:3580704 ]
    2. Lane MA: Muscarinic cholinergic activation of mouse spleen cells cytotoxic to tumor cells in vitro. J Natl Cancer Inst. 1978 Sep;61(3):923-6. [PubMed:29133 ]
    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Primary transducing effect is inhibition of adenylate cyclase
    Gene Name:
    CHRM4
    Uniprot ID:
    P08173
    Molecular weight:
    53048.7
    References
    1. Lane MA: Muscarinic cholinergic activation of mouse spleen cells cytotoxic to tumor cells in vitro. J Natl Cancer Inst. 1978 Sep;61(3):923-6. [PubMed:29133 ]
    2. Eglen RM, Whiting RL: Competitive and non-competitive antagonism exhibited by selective antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7. [PubMed:3580704 ]

    PMID: 21991317

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