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Identification
NameTrospium
Accession NumberDB00209  (APRD00393)
TypeSmall Molecule
GroupsApproved
DescriptionTrospium is a urinary antispasmodic. It is sold under the brand name Sanctura in the US, and as Trosec in Canada. [Wikipedia]
Structure
Thumb
SynonymsNot Available
External Identifiers Not Available
Approved Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Sanctura XRCapsule, extended release60 mgOralAllergan Inc2010-01-202016-04-13Canada
TrosecTablet20 mgOralSunovion Pharmaceuticals Canada Inc2006-04-04Not applicableCanada
Approved Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Trospium ChlorideTablet, film coated20 mg/1OralGlenmark Pharmaceuticals Inc., Usa2010-08-13Not applicableUs
Trospium ChlorideTablet, film coated20 mg/1OralCipla Usa Inc.,2016-09-23Not applicableUs
Trospium ChlorideTablet20 mg/1OralGolden State Medical Supply, Inc.2013-02-08Not applicableUs
Trospium ChlorideTablet20 mg/1OralAmerican Health Packaging2014-12-152015-12-29Us
Trospium ChlorideTablet, film coated20 mg/1OralPaddock Laboratories, LLC2010-11-17Not applicableUs
Trospium ChlorideTablet20 mg/1OralApotex Corp.2012-10-15Not applicableUs
Trospium ChlorideTablet, film coated20 mg/1OralHeritage Pharmaceuticals Inc.2015-11-16Not applicableUs
Trospium ChlorideCapsule, extended release60 mg/1OralActavis Pharma, Inc.2012-10-12Not applicableUs
Trospium ChlorideCapsule, extended release60 mg/1OralBlue Point Laboratories2014-03-11Not applicableUs
Trospium ChlorideTablet20 mg/1OralAv Kare, Inc.2016-10-06Not applicableUs
Trospium ChlorideCapsule, extended release60 mg/1OralGolden State Medical Supply, Inc.2014-07-18Not applicableUs
Trospium Chloride ERCapsule, extended release60 mg/1OralPaddock Laboratories, LLC2013-06-07Not applicableUs
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International Brands
NameCompany
FlotrosNot Available
RegurinNot Available
SpasmexNot Available
SpasmolytNot Available
SpasmoplexNot Available
Tropez ODNot Available
Brand mixturesNot Available
Salts
Name/CASStructureProperties
Trospium chloride
10405-02-4
Thumb
  • InChI Key: RVCSYOQWLPPAOA-QKYUOBHYSA-M
  • Monoisotopic Mass: 427.1914215
  • Average Mass: 427.97
DBSALT000883
Categories
UNIIT4Y8ORK057
CAS number47608-32-2
WeightAverage: 392.518
Monoisotopic: 392.22202025
Chemical FormulaC25H30NO3
InChI KeyOYYDSUSKLWTMMQ-JKHIJQBDSA-N
InChI
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+
IUPAC Name
(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8λ⁵-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium
SMILES
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1
Pharmacology
IndicationFor the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency, detrusor instability and frequency of micturition.
Structured Indications
PharmacodynamicsTrospium is an antispasmodic, antimuscarinic agent indicated for the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency. Receptor assays showed that trospium has negligible affinity for nicotinic receptors as compared to muscarinic receptors at concentrations obtained from therapeutic doses.
Mechanism of actionTrospium antagonizes the effect of acetylcholine on muscarinic receptors in cholinergically innervated organs. Its parasympatholytic action reduces the tonus of smooth muscle in the bladder.
TargetKindPharmacological actionActionsOrganismUniProt ID
Muscarinic acetylcholine receptor M1Proteinunknown
antagonist
HumanP11229 details
Related Articles
Absorption9.6%
Volume of distribution
  • 395 ± 140 L
Protein binding50-85%
Metabolism

Not fully defined

Route of eliminationAfter administration of oral 14C-trospium chloride, the majority of the dose (85.2%) was recovered in feces and a smaller amount (5.8% of the dose) was recovered in urine; 60% of the radioactivity excreted in urine was unchanged trospium. The mean renal clearance for trospium (29.07 L/hour) is 4-fold higher than average glomerular filtration rate, indicating that active tubular secretion is a major route of elimination for trospium. SANCTURA ® is metabolized by ester hydrolysis and excreted by the kidneys by a combination of tubular secretion and glomerular filtration.
Half life20 hours
Clearance
  • Renal cl=29.07 L/hour
ToxicityNot Available
Affected organisms
  • Humans and other mammals
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug Interactions
DrugInteractionDrug group
1,10-PhenanthrolineThe therapeutic efficacy of Trospium can be decreased when used in combination with 1,10-Phenanthroline.Experimental
AclidiniumAclidinium may increase the anticholinergic activities of Trospium.Approved
AlfentanilThe risk or severity of adverse effects can be increased when Trospium is combined with Alfentanil.Approved, Illicit
AlphacetylmethadolThe risk or severity of adverse effects can be increased when Trospium is combined with Alphacetylmethadol.Experimental, Illicit
AmbenoniumThe therapeutic efficacy of Trospium can be decreased when used in combination with Ambenonium.Approved
Anisotropine MethylbromideThe risk or severity of adverse effects can be increased when Trospium is combined with Anisotropine Methylbromide.Approved
Atracurium besylateThe risk or severity of adverse effects can be increased when Trospium is combined with Atracurium besylate.Approved
AtropineThe risk or severity of adverse effects can be increased when Trospium is combined with Atropine.Approved, Vet Approved
BenactyzineThe risk or severity of adverse effects can be increased when Trospium is combined with Benactyzine.Withdrawn
BendroflumethiazideThe serum concentration of Bendroflumethiazide can be increased when it is combined with Trospium.Approved
BenzatropineThe risk or severity of adverse effects can be increased when Trospium is combined with Benzatropine.Approved
BezitramideThe risk or severity of adverse effects can be increased when Trospium is combined with Bezitramide.Experimental, Illicit, Withdrawn
BiperidenThe risk or severity of adverse effects can be increased when Trospium is combined with Biperiden.Approved
Botulinum Toxin Type ATrospium may increase the anticholinergic activities of Botulinum Toxin Type A.Approved, Investigational
Botulinum Toxin Type BTrospium may increase the anticholinergic activities of Botulinum Toxin Type B.Approved
BuprenorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Buprenorphine.Approved, Illicit, Investigational, Vet Approved
ButorphanolThe risk or severity of adverse effects can be increased when Trospium is combined with Butorphanol.Approved, Illicit, Vet Approved
CarfentanilThe risk or severity of adverse effects can be increased when Trospium is combined with Carfentanil.Illicit, Vet Approved
ChlorothiazideThe serum concentration of Chlorothiazide can be increased when it is combined with Trospium.Approved, Vet Approved
ChlorphenoxamineThe risk or severity of adverse effects can be increased when Trospium is combined with Chlorphenoxamine.Withdrawn
ChlorthalidoneThe serum concentration of Chlorthalidone can be increased when it is combined with Trospium.Approved
CimetropiumTrospium may increase the anticholinergic activities of Cimetropium.Experimental
CodeineThe risk or severity of adverse effects can be increased when Trospium is combined with Codeine.Approved, Illicit
CoumaphosThe therapeutic efficacy of Trospium can be decreased when used in combination with Coumaphos.Vet Approved
CyclopentolateThe risk or severity of adverse effects can be increased when Trospium is combined with Cyclopentolate.Approved
DarifenacinThe risk or severity of adverse effects can be increased when Trospium is combined with Darifenacin.Approved, Investigational
DecamethoniumThe therapeutic efficacy of Trospium can be decreased when used in combination with Decamethonium.Approved
DemecariumThe therapeutic efficacy of Trospium can be decreased when used in combination with Demecarium.Approved
DesloratadineThe risk or severity of adverse effects can be increased when Trospium is combined with Desloratadine.Approved, Investigational
DexetimideThe risk or severity of adverse effects can be increased when Trospium is combined with Dexetimide.Withdrawn
DextromoramideThe risk or severity of adverse effects can be increased when Trospium is combined with Dextromoramide.Experimental, Illicit
DextropropoxypheneThe risk or severity of adverse effects can be increased when Trospium is combined with Dextropropoxyphene.Approved, Illicit, Withdrawn
DezocineThe risk or severity of adverse effects can be increased when Trospium is combined with Dezocine.Approved
DichlorvosThe therapeutic efficacy of Trospium can be decreased when used in combination with Dichlorvos.Vet Approved
DicyclomineThe risk or severity of adverse effects can be increased when Trospium is combined with Dicyclomine.Approved
DihydrocodeineThe risk or severity of adverse effects can be increased when Trospium is combined with Dihydrocodeine.Approved, Illicit
DihydroetorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Dihydroetorphine.Experimental, Illicit
DihydromorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Dihydromorphine.Experimental, Illicit
DiphenoxylateThe risk or severity of adverse effects can be increased when Trospium is combined with Diphenoxylate.Approved, Illicit
DonepezilThe therapeutic efficacy of Trospium can be decreased when used in combination with Donepezil.Approved
DPDPEThe risk or severity of adverse effects can be increased when Trospium is combined with DPDPE.Investigational
DronabinolTrospium may increase the tachycardic activities of Dronabinol.Approved, Illicit
EchothiophateThe therapeutic efficacy of Trospium can be decreased when used in combination with Echothiophate.Approved
EdrophoniumThe therapeutic efficacy of Trospium can be decreased when used in combination with Edrophonium.Approved
EluxadolineTrospium may increase the constipating activities of Eluxadoline.Approved
EthanolEthanol may increase the central nervous system depressant (CNS depressant) activities of Trospium.Approved
EthopropazineThe risk or severity of adverse effects can be increased when Trospium is combined with Ethopropazine.Approved
EthylmorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Ethylmorphine.Approved, Illicit
EtorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Etorphine.Illicit, Vet Approved
FentanylThe risk or severity of adverse effects can be increased when Trospium is combined with Fentanyl.Approved, Illicit, Investigational, Vet Approved
FenthionThe therapeutic efficacy of Trospium can be decreased when used in combination with Fenthion.Vet Approved
FesoterodineThe serum concentration of the active metabolites of Fesoterodine can be increased when Fesoterodine is used in combination with Trospium.Approved
GalantamineThe therapeutic efficacy of Trospium can be decreased when used in combination with Galantamine.Approved
Gallamine TriethiodideThe risk or severity of adverse effects can be increased when Trospium is combined with Gallamine Triethiodide.Approved
Ginkgo bilobaThe therapeutic efficacy of Trospium can be decreased when used in combination with Ginkgo biloba.Approved, Nutraceutical
Glucagon recombinantThe risk or severity of adverse effects can be increased when Trospium is combined with Glucagon recombinant.Approved
GlycopyrroniumTrospium may increase the anticholinergic activities of Glycopyrronium.Approved, Investigational, Vet Approved
HeroinThe risk or severity of adverse effects can be increased when Trospium is combined with Heroin.Approved, Illicit
HexamethoniumThe risk or severity of adverse effects can be increased when Trospium is combined with Hexamethonium.Experimental
HomatropineThe risk or severity of adverse effects can be increased when Trospium is combined with Homatropine.Approved
Huperzine AThe therapeutic efficacy of Trospium can be decreased when used in combination with Huperzine A.Investigational
HydrochlorothiazideThe serum concentration of Hydrochlorothiazide can be increased when it is combined with Trospium.Approved, Vet Approved
HydrocodoneThe risk or severity of adverse effects can be increased when Trospium is combined with Hydrocodone.Approved, Illicit
HydroflumethiazideThe serum concentration of Hydroflumethiazide can be increased when it is combined with Trospium.Approved
HydromorphoneThe risk or severity of adverse effects can be increased when Trospium is combined with Hydromorphone.Approved, Illicit
HyoscyamineThe risk or severity of adverse effects can be increased when Trospium is combined with Hyoscyamine.Approved
IndapamideThe serum concentration of Indapamide can be increased when it is combined with Trospium.Approved
Ipratropium bromideThe risk or severity of adverse effects can be increased when Trospium is combined with Ipratropium bromide.Approved
IsoflurophateThe therapeutic efficacy of Trospium can be decreased when used in combination with Isoflurophate.Approved, Withdrawn
ItoprideThe therapeutic efficacy of Itopride can be decreased when used in combination with Trospium.Investigational
KetobemidoneThe risk or severity of adverse effects can be increased when Trospium is combined with Ketobemidone.Approved
Levomethadyl AcetateThe risk or severity of adverse effects can be increased when Trospium is combined with Levomethadyl Acetate.Approved
LevorphanolThe risk or severity of adverse effects can be increased when Trospium is combined with Levorphanol.Approved
LofentanilThe risk or severity of adverse effects can be increased when Trospium is combined with Lofentanil.Illicit
MalathionThe therapeutic efficacy of Trospium can be decreased when used in combination with Malathion.Approved, Investigational
MecamylamineThe risk or severity of adverse effects can be increased when Trospium is combined with Mecamylamine.Approved
MefloquineThe therapeutic efficacy of Trospium can be decreased when used in combination with Mefloquine.Approved
MemantineThe therapeutic efficacy of Trospium can be decreased when used in combination with Memantine.Approved, Investigational
MetforminThe serum concentration of Trospium can be decreased when it is combined with Metformin.Approved
MethadoneThe risk or severity of adverse effects can be increased when Trospium is combined with Methadone.Approved
Methadyl AcetateThe risk or severity of adverse effects can be increased when Trospium is combined with Methadyl Acetate.Approved, Illicit
Methanesulfonyl FluorideThe therapeutic efficacy of Trospium can be decreased when used in combination with Methanesulfonyl Fluoride.Investigational
MethanthelineThe risk or severity of adverse effects can be increased when Trospium is combined with Methantheline.Approved
MethyclothiazideThe serum concentration of Methyclothiazide can be increased when it is combined with Trospium.Approved
MetixeneThe risk or severity of adverse effects can be increased when Trospium is combined with Metixene.Approved
MetolazoneThe serum concentration of Metolazone can be increased when it is combined with Trospium.Approved
MetoprololThe serum concentration of Metoprolol can be increased when it is combined with Trospium.Approved, Investigational
MianserinMianserin may increase the anticholinergic activities of Trospium.Approved
MinaprineThe therapeutic efficacy of Trospium can be decreased when used in combination with Minaprine.Approved
MirabegronThe risk or severity of adverse effects can be increased when Trospium is combined with Mirabegron.Approved
MorphineThe risk or severity of adverse effects can be increased when Trospium is combined with Morphine.Approved, Investigational
N-butylscopolammonium bromideThe risk or severity of adverse effects can be increased when Trospium is combined with N-butylscopolammonium bromide.Vet Approved
NabiloneTrospium may increase the tachycardic activities of Nabilone.Approved, Investigational
NalbuphineThe risk or severity of adverse effects can be increased when Trospium is combined with Nalbuphine.Approved
NeostigmineThe therapeutic efficacy of Trospium can be decreased when used in combination with Neostigmine.Approved, Vet Approved
NormethadoneThe risk or severity of adverse effects can be increased when Trospium is combined with Normethadone.Approved, Illicit
NVA237The risk or severity of adverse effects can be increased when Trospium is combined with NVA237.Investigational
OpiumThe risk or severity of adverse effects can be increased when Trospium is combined with Opium.Approved, Illicit
OrphenadrineThe risk or severity of adverse effects can be increased when Trospium is combined with Orphenadrine.Approved
OxybutyninThe risk or severity of adverse effects can be increased when Trospium is combined with Oxybutynin.Approved, Investigational
OxycodoneThe risk or severity of adverse effects can be increased when Trospium is combined with Oxycodone.Approved, Illicit, Investigational
OxymorphoneThe risk or severity of adverse effects can be increased when Trospium is combined with Oxymorphone.Approved, Investigational, Vet Approved
OxyphenoniumThe risk or severity of adverse effects can be increased when Trospium is combined with Oxyphenonium.Approved
PancuroniumThe risk or severity of adverse effects can be increased when Trospium is combined with Pancuronium.Approved
PentazocineThe risk or severity of adverse effects can be increased when Trospium is combined with Pentazocine.Approved, Vet Approved
PentoliniumThe risk or severity of adverse effects can be increased when Trospium is combined with Pentolinium.Approved
PethidineThe risk or severity of adverse effects can be increased when Trospium is combined with Pethidine.Approved
PhysostigmineThe therapeutic efficacy of Trospium can be decreased when used in combination with Physostigmine.Approved
PipecuroniumThe risk or severity of adverse effects can be increased when Trospium is combined with Pipecuronium.Approved
PirenzepineThe risk or severity of adverse effects can be increased when Trospium is combined with Pirenzepine.Approved
PiritramideThe risk or severity of adverse effects can be increased when Trospium is combined with Piritramide.Investigational
PolythiazideThe serum concentration of Polythiazide can be increased when it is combined with Trospium.Approved
Potassium ChlorideTrospium may increase the ulcerogenic activities of Potassium Chloride.Approved, Withdrawn
PramlintidePramlintide may increase the anticholinergic activities of Trospium.Approved, Investigational
ProcyclidineThe risk or severity of adverse effects can be increased when Trospium is combined with Procyclidine.Approved
PropanthelineThe risk or severity of adverse effects can be increased when Trospium is combined with Propantheline.Approved
PropiverineThe risk or severity of adverse effects can be increased when Trospium is combined with Propiverine.Investigational
PyridostigmineThe therapeutic efficacy of Trospium can be decreased when used in combination with Pyridostigmine.Approved
QuinethazoneThe serum concentration of Quinethazone can be increased when it is combined with Trospium.Approved
QuinidineThe risk or severity of adverse effects can be increased when Trospium is combined with Quinidine.Approved
RamosetronTrospium may increase the constipating activities of Ramosetron.Approved
RemifentanilThe risk or severity of adverse effects can be increased when Trospium is combined with Remifentanil.Approved
RivastigmineThe therapeutic efficacy of Trospium can be decreased when used in combination with Rivastigmine.Approved, Investigational
ScopolamineThe risk or severity of adverse effects can be increased when Trospium is combined with Scopolamine.Approved
Scopolamine butylbromideThe risk or severity of adverse effects can be increased when Trospium is combined with Scopolamine butylbromide.Approved
SecretinThe therapeutic efficacy of Secretin can be decreased when used in combination with Trospium.Approved, Investigational
SolifenacinThe risk or severity of adverse effects can be increased when Trospium is combined with Solifenacin.Approved
SufentanilThe risk or severity of adverse effects can be increased when Trospium is combined with Sufentanil.Approved, Investigational
SulpirideThe therapeutic efficacy of Sulpiride can be decreased when used in combination with Trospium.Approved
TacrineThe therapeutic efficacy of Trospium can be decreased when used in combination with Tacrine.Withdrawn
TapentadolThe risk or severity of adverse effects can be increased when Trospium is combined with Tapentadol.Approved
ThioridazineThe serum concentration of Thioridazine can be increased when it is combined with Trospium.Approved
TiotropiumTrospium may increase the anticholinergic activities of Tiotropium.Approved
TolterodineThe risk or severity of adverse effects can be increased when Trospium is combined with Tolterodine.Approved, Investigational
TopiramateThe risk or severity of adverse effects can be increased when Trospium is combined with Topiramate.Approved
TramadolThe risk or severity of adverse effects can be increased when Trospium is combined with Tramadol.Approved, Investigational
TrichlorfonThe therapeutic efficacy of Trospium can be decreased when used in combination with Trichlorfon.Vet Approved
TrichlormethiazideThe serum concentration of Trichlormethiazide can be increased when it is combined with Trospium.Approved, Vet Approved
TrihexyphenidylThe risk or severity of adverse effects can be increased when Trospium is combined with Trihexyphenidyl.Approved
TrimethaphanThe risk or severity of adverse effects can be increased when Trospium is combined with Trimethaphan.Approved
TropicamideThe risk or severity of adverse effects can be increased when Trospium is combined with Tropicamide.Approved
TubocurarineThe risk or severity of adverse effects can be increased when Trospium is combined with Tubocurarine.Approved
UmeclidiniumUmeclidinium may increase the anticholinergic activities of Trospium.Approved
VecuroniumThe risk or severity of adverse effects can be increased when Trospium is combined with Vecuronium.Approved
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesA03DA06G04BD09
AHFS Codes
  • 86:12.00
PDB EntriesNot Available
FDA labelDownload (249 KB)
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption-0.9469
Blood Brain Barrier+0.9418
Caco-2 permeable+0.6042
P-glycoprotein substrateSubstrate0.6431
P-glycoprotein inhibitor INon-inhibitor0.7783
P-glycoprotein inhibitor IINon-inhibitor0.9759
Renal organic cation transporterInhibitor0.7234
CYP450 2C9 substrateNon-substrate0.818
CYP450 2D6 substrateNon-substrate0.774
CYP450 3A4 substrateSubstrate0.5716
CYP450 1A2 substrateNon-inhibitor0.9005
CYP450 2C9 inhibitorNon-inhibitor0.89
CYP450 2D6 inhibitorNon-inhibitor0.7317
CYP450 2C19 inhibitorNon-inhibitor0.9147
CYP450 3A4 inhibitorNon-inhibitor0.8121
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9567
Ames testNon AMES toxic0.8238
CarcinogenicityNon-carcinogens0.9458
BiodegradationNot ready biodegradable0.8128
Rat acute toxicity2.8407 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9135
hERG inhibition (predictor II)Non-inhibitor0.6933
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
Manufacturers
  • Allergan inc
Packagers
Dosage forms
FormRouteStrength
Capsule, extended releaseOral60 mg
TabletOral20 mg
TabletOral20 mg/1
Tablet, film coatedOral20 mg/1
Capsule, extended releaseOral60 mg/1
Prices
Unit descriptionCostUnit
Sanctura XR 60 mg 24 Hour Capsule5.17USD capsule
Sanctura xr 60 mg capsule5.02USD capsule
Sanctura 20 mg tablet3.12USD tablet
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
CA2537103 No2010-01-192024-11-04Canada
US7410978 No2005-02-012025-02-01Us
US7759359 No2004-11-042024-11-04Us
US7763635 No2004-11-042024-11-04Us
US7781448 No2004-11-042024-11-04Us
US7781449 No2004-11-042024-11-04Us
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility6.68e-05 mg/mLALOGPS
logP2.86ALOGPS
logP-0.5ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)11.05ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity124.04 m3·mol-1ChemAxon
Polarizability43.25 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds 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.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassDiphenylmethanes
Direct ParentDiphenylmethanes
Alternative Parents
Substituents
  • Diphenylmethane
  • Piperidine
  • N-alkylpyrrolidine
  • Pyrrolidine
  • Quaternary ammonium salt
  • Tertiary alcohol
  • Tetraalkylammonium salt
  • Carboxylic acid ester
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Aromatic alcohol
  • Organic oxide
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
antagonist
General Function:
Phosphatidylinositol phospholipase c activity
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:
CHRM1
Uniprot ID:
P11229
Molecular Weight:
51420.375 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
inhibitor
General Function:
Steroid hydroxylase activity
Specific Function:
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:
CYP2D6
Uniprot ID:
P10635
Molecular Weight:
55768.94 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Comments
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Drug created on June 13, 2005 07:24 / Updated on December 06, 2016 02:40