Carbocromen
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Carbocromen
- DrugBank Accession Number
- DB13279
- Background
Carbocromen was marketed for use in Germany as a vasodilator, however, it has been discontinued due to the risk of arrhythmia development 1.
- Type
- Small Molecule
- Groups
- Approved, Withdrawn
- Structure
- Weight
- Average: 361.438
Monoisotopic: 361.188922973 - Chemical Formula
- C20H27NO5
- Synonyms
- Carbocromen
- Chromonar
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 softwareAcetohexamide The therapeutic efficacy of Acetohexamide can be increased when used in combination with Carbocromen. Chlorpropamide The therapeutic efficacy of Chlorpropamide can be increased when used in combination with Carbocromen. Dexmethylphenidate The serum concentration of the active metabolites of Carbocromen can be increased when Carbocromen is used in combination with Dexmethylphenidate. Diazoxide The serum concentration of Carbocromen can be increased when it is combined with Diazoxide. Doxycycline The therapeutic efficacy of Carbocromen can be increased when used in combination with Doxycycline. - 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
- C01DX05 — Carbocromen
- 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 / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives / Lactones / Carboxylic acid esters show 6 more
- Substituents
- 1-benzopyran / Alkyl aryl ether / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Carbonyl group / Carboxylic acid derivative show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- R0C9NIE5JJ
- CAS number
- 804-10-4
- InChI Key
- KLOIYEQEVSIOOO-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3
- IUPAC Name
- ethyl 2-({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate
- SMILES
- CCOC(=O)COC1=CC2=C(C=C1)C(C)=C(CCN(CC)CC)C(=O)O2
References
- General References
- Springer AdisInsight Drug Profile Carbocromen [Link]
- External Links
- ChemSpider
- 12084
- 2508
- ChEBI
- 135525
- ChEMBL
- CHEMBL163672
- ZINC
- ZINC000004215319
- Wikipedia
- Carbocromen
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0443 mg/mL ALOGPS logP 3.55 ALOGPS logP 2.73 Chemaxon logS -3.9 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 100.01 m3·mol-1 Chemaxon Polarizability 40.53 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 splash10-004i-0091000000-69e3c0d5b08ac2440ef2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-3059000000-173ee1554efc4385b62c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-0091000000-c9e9021f5109be5f5ecd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0pi0-3192000000-1511c5efb2153eb9fe93 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-1004-2291000000-0efaae819d0dd1cae943 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0ldi-1091000000-3f755f439f4d8fdd313e 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]- 198.7278775 predictedDarkChem Lite v0.1.0 [M-H]- 185.89137 predictedDeepCCS 1.0 (2019) [M+H]+ 199.0365775 predictedDarkChem Lite v0.1.0 [M+H]+ 188.24937 predictedDeepCCS 1.0 (2019) [M+Na]+ 199.1909775 predictedDarkChem Lite v0.1.0 [M+Na]+ 194.90819 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54