Cloricromen
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Cloricromen
- DrugBank Accession Number
- DB13367
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 395.88
Monoisotopic: 395.1499506 - Chemical Formula
- C20H26ClNO5
- Synonyms
- Cloricromen
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding can be increased when Cloricromen is combined with Abciximab. Abrocitinib The risk or severity of bleeding and thrombocytopenia can be increased when Cloricromen is combined with Abrocitinib. Aceclofenac The risk or severity of bleeding can be increased when Aceclofenac is combined with Cloricromen. Acemetacin The risk or severity of bleeding can be increased when Acemetacin is combined with Cloricromen. Acenocoumarol The risk or severity of bleeding can be increased when Cloricromen is combined with Acenocoumarol. - 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
- B01AC02 — Cloricromen
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Coumarins and derivatives
- Sub Class
- Not Available
- Direct Parent
- Coumarins and derivatives
- Alternative Parents
- Phenoxyacetic acid derivatives / 1-benzopyrans / Pyranones and derivatives / Alkyl aryl ethers / Aralkylamines / Aryl chlorides / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives / Carboxylic acid esters show 8 more
- Substituents
- 1-benzopyran / Alkyl aryl ether / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Benzenoid / Benzopyran show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B9454PE93C
- CAS number
- 68206-94-0
- InChI Key
- GYNNRVJJLAVVTQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3
- IUPAC Name
- ethyl 2-({8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate
- SMILES
- CCOC(=O)COC1=CC=C2C(C)=C(CCN(CC)CC)C(=O)OC2=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 62108
- ChEBI
- 135628
- ChEMBL
- CHEMBL255066
- ZINC
- ZINC000000576842
- Wikipedia
- Cloricromen
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Powder, for solution - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0624 mg/mL ALOGPS logP 3.97 ALOGPS logP 3.34 Chemaxon logS -3.8 ALOGPS pKa (Strongest Basic) 9.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 65.07 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 104.81 m3·mol-1 Chemaxon Polarizability 43 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01w1-0039000000-67ae5618dfd6eecaeb85 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-0029000000-82724d20cf654a80cf65 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004r-0094000000-f5294fe49b2be806ae5b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-057m-3098000000-7c33ac6c6e336f1b0de7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0091000000-29fa2673d96bec6a4598 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-9052000000-a1d4fc2fbf6b0c706ba8 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]- 185.6774 predictedDeepCCS 1.0 (2019) [M+H]+ 188.19276 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.77591 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54