Cloricromen

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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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
AbciximabThe risk or severity of bleeding can be increased when Cloricromen is combined with Abciximab.
AbrocitinibThe risk or severity of bleeding and thrombocytopenia can be increased when Cloricromen is combined with Abrocitinib.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Cloricromen.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Cloricromen.
AcenocoumarolThe risk or severity of bleeding can be increased when Cloricromen is combined with Acenocoumarol.
Food Interactions
Not Available

Products

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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
ChemSpider
62108
ChEBI
135628
ChEMBL
CHEMBL255066
ZINC
ZINC000000576842
Wikipedia
Cloricromen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
Powder, for solution
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0624 mg/mLALOGPS
logP3.97ALOGPS
logP3.34Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)9.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area65.07 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity104.81 m3·mol-1Chemaxon
Polarizability43 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/MSsplash10-01w1-0039000000-67ae5618dfd6eecaeb85
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0029000000-82724d20cf654a80cf65
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004r-0094000000-f5294fe49b2be806ae5b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-057m-3098000000-7c33ac6c6e336f1b0de7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0091000000-29fa2673d96bec6a4598
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9052000000-a1d4fc2fbf6b0c706ba8
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]-185.6774
predicted
DeepCCS 1.0 (2019)
[M+H]+188.19276
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.77591
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54