Morclofone
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Morclofone
- DrugBank Accession Number
- DB13558
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 405.88
Monoisotopic: 405.1343006 - Chemical Formula
- C21H24ClNO5
- Synonyms
- Morclofone
Pharmacology
- Indication
Not Available
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- 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
- 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.Not Available
- 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
- R05DB25 — Morclofone
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzophenones
- Direct Parent
- Benzophenones
- Alternative Parents
- Aryl-phenylketones / Diphenylmethanes / Dimethoxybenzenes / Phenoxy compounds / Anisoles / Benzoyl derivatives / Alkyl aryl ethers / Chlorobenzenes / Aryl chlorides / Morpholines show 8 more
- Substituents
- Alkyl aryl ether / Amine / Anisole / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Aryl ketone / Aryl-phenylketone / Azacycle / Benzophenone show 27 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VY62TIB872
- CAS number
- 31848-01-8
- InChI Key
- KVCJCEKJKGLBOK-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3
- IUPAC Name
- 4-{2-[4-(4-chlorobenzoyl)-2,6-dimethoxyphenoxy]ethyl}morpholine
- SMILES
- COC1=CC(=CC(OC)=C1OCCN1CCOCC1)C(=O)C1=CC=C(Cl)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 33063
- ChEBI
- 135657
- ChEMBL
- CHEMBL2105158
- ZINC
- ZINC000030691542
- Wikipedia
- Morclofone
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Suppository - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0135 mg/mL ALOGPS logP 3.35 ALOGPS logP 3.36 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 5.17 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.23 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 107.92 m3·mol-1 Chemaxon Polarizability 42.84 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0bti-0902600000-d2c1fad46bb1d8af43d0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0015900000-eef1ca6d4412fd238413 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-05n3-0902100000-483c83971e5856e7cd56 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-8193100000-f2bebff0f94cd408fcd1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052r-1901000000-d240e8c30261785e0a93 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-8091000000-07fedab0f01a097d3c81 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]- 191.50305 predictedDeepCCS 1.0 (2019) [M+H]+ 194.30049 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.46964 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54