Carbocromen

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Approved, Withdrawn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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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Carbocromen.
ChlorpropamideThe therapeutic efficacy of Chlorpropamide can be increased when used in combination with Carbocromen.
DexmethylphenidateThe serum concentration of the active metabolites of Carbocromen can be increased when Carbocromen is used in combination with Dexmethylphenidate.
DiazoxideThe serum concentration of Carbocromen can be increased when it is combined with Diazoxide.
DoxycyclineThe therapeutic efficacy of Carbocromen can be increased when used in combination with Doxycycline.
Food Interactions
Not Available

Products

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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
  1. Springer AdisInsight Drug Profile Carbocromen [Link]
ChemSpider
12084
RxNav
2508
ChEBI
135525
ChEMBL
CHEMBL163672
ZINC
ZINC000004215319
Wikipedia
Carbocromen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0443 mg/mLALOGPS
logP3.55ALOGPS
logP2.73Chemaxon
logS-3.9ALOGPS
pKa (Strongest Basic)9.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area65.07 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity100.01 m3·mol-1Chemaxon
Polarizability40.53 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0091000000-69e3c0d5b08ac2440ef2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3059000000-173ee1554efc4385b62c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000b-0091000000-c9e9021f5109be5f5ecd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pi0-3192000000-1511c5efb2153eb9fe93
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-1004-2291000000-0efaae819d0dd1cae943
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ldi-1091000000-3f755f439f4d8fdd313e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-198.7278775
predicted
DarkChem Lite v0.1.0
[M-H]-185.89137
predicted
DeepCCS 1.0 (2019)
[M+H]+199.0365775
predicted
DarkChem Lite v0.1.0
[M+H]+188.24937
predicted
DeepCCS 1.0 (2019)
[M+Na]+199.1909775
predicted
DarkChem Lite v0.1.0
[M+Na]+194.90819
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54