This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Rociverine is an antispasmodic indicated in the treatment of urinary, gastrointestinal, and biliary tract spasms.
- Generic Name
- Rociverine
- DrugBank Accession Number
- DB13581
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Rociverine (DB13581)
- Weight
- Average: 339.52
Monoisotopic: 339.277344055 - Chemical Formula
- C20H37NO3
- Synonyms
- Rociverine
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Spastic pain of the biliary tract •••••••••••• •••••••••• ••••••••• ••••••• •••••• Treatment of Spastic pain of the gastrointestinal tract •••••••••••• •••••••••• ••••••••• ••••••• •••••• Treatment of Spastic pain of the urinary tract •••••••••••• •••••••••• ••••••••• ••••••• •••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AMuscarinic acetylcholine receptor M1 antagonistHumans AMuscarinic acetylcholine receptor M2 antagonistHumans AMuscarinic acetylcholine receptor M3 antagonistHumans AMuscarinic acetylcholine receptor M4 antagonistHumans AMuscarinic acetylcholine receptor M5 antagonistHumans - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAclidinium The risk or severity of adverse effects can be increased when Rociverine is combined with Aclidinium. Adenosine The risk or severity of Tachycardia can be increased when Adenosine is combined with Rociverine. Alfentanil The risk or severity of adverse effects can be increased when Rociverine is combined with Alfentanil. Alloin The therapeutic efficacy of Alloin can be decreased when used in combination with Rociverine. Amantadine The risk or severity of adverse effects can be increased when Amantadine is combined with Rociverine. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- A03AA06 — Rociverine
- Drug Categories
- Acids, Carbocyclic
- Agents producing tachycardia
- Alimentary Tract and Metabolism
- Anticholinergic Agents
- Autonomic Agents
- Cyclohexanes
- Cycloparaffins
- Drugs for Functional Gastrointestinal Disorders
- Muscarinic Antagonists
- Parasympatholytics
- Peripheral Nervous System Agents
- Synthetic Anticholinergics, Esters With Tertiary Amino Group
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Alcohols and polyols
- Direct Parent
- Cyclohexanols
- Alternative Parents
- Tertiary alcohols / Trialkylamines / Cyclic alcohols and derivatives / Carboxylic acid esters / Amino acids and derivatives / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic homomonocyclic compound / Amine / Amino acid or derivatives / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclic alcohol / Cyclohexanol / Hydrocarbon derivative / Monocarboxylic acid or derivatives
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VI08KS44V0
- CAS number
- 53716-44-2
- InChI Key
- XPYLKZZOBVLVHB-QDKIRNHSSA-N
- InChI
- InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1
- IUPAC Name
- 1-(diethylamino)propan-2-yl (1S,2S)-1-hydroxy-[1,1'-bi(cyclohexane)]-2-carboxylate
- SMILES
- CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1
References
- General References
- AIFA: Rilaten (Rociverine) Oral Tablet and Intravenous and Intramuscular Injection [Link]
- External Links
- ChemSpider
- 28534065
- ChEBI
- 135440
- Wikipedia
- Rociverine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Solution Intramuscular; Intravenous Suppository Tablet, coated Oral Solution Intramuscular; Intravenous 20 mg Solution Intramuscular; Intravenous 2000000 mg Tablet, coated Oral 10 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0582 mg/mL ALOGPS logP 4.56 ALOGPS logP 3.99 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 14.09 Chemaxon pKa (Strongest Basic) 9.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.77 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 97.7 m3·mol-1 Chemaxon Polarizability 40.08 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4r-9321000000-ea3eb5e2aa2f8b0c2073 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-1009000000-4dfc0d2d27b24d5f9be6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0449000000-e9fb1214f4dfc2549d0f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-002o-5983000000-e03df1e56226c4e580c5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001u-1954000000-d40afd391f07b04adb8c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-1901000000-e9a7467914370962e24f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-053i-9710000000-64dbaad9dfffadf46c3d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.10516 predictedDeepCCS 1.0 (2019) [M+H]+ 185.46315 predictedDeepCCS 1.0 (2019) [M+Na]+ 192.33942 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- 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...
- Gene Name
- CHRM1
- Uniprot ID
- P11229
- Uniprot Name
- Muscarinic acetylcholine receptor M1
- Molecular Weight
- 51420.375 Da
References
- Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- G-protein coupled acetylcholine receptor 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...
- Gene Name
- CHRM2
- Uniprot ID
- P08172
- Uniprot Name
- Muscarinic acetylcholine receptor M2
- Molecular Weight
- 51714.605 Da
References
- Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Receptor 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...
- Gene Name
- CHRM3
- Uniprot ID
- P20309
- Uniprot Name
- Muscarinic acetylcholine receptor M3
- Molecular Weight
- 66127.445 Da
References
- Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Guanyl-nucleotide exchange factor 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...
- Gene Name
- CHRM4
- Uniprot ID
- P08173
- Uniprot Name
- Muscarinic acetylcholine receptor M4
- Molecular Weight
- 53048.65 Da
References
- Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- 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...
- Gene Name
- CHRM5
- Uniprot ID
- P08912
- Uniprot Name
- Muscarinic acetylcholine receptor M5
- Molecular Weight
- 60073.205 Da
References
- Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32. [Article]
Drug created at June 23, 2017 20:44 / Updated at May 29, 2021 18:11