NAV

Chlorphenesin carbamate

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

Identification

Generic Name
Chlorphenesin carbamate
DrugBank Accession Number
DB14656
Background

Not Available

Type
Small Molecule
Groups
Approved, Vet approved, Withdrawn
Structure
3D
Similar Structures
Weight
Average: 245.66
Monoisotopic: 245.0454856
Chemical Formula
C10H12ClNO4
Synonyms
  • 1,2-propanediol-3-(p-chlorophenoxy)-1-carbamate
  • 3-(4-chlorophenoxy)-1,2-propanediol-1-carbamate
  • 3-(p-chlorophenoxy)-1,2-propanediol 1-carbamate
  • 3-(p-chlorophenoxy)-2-hydroxypropyl carbamate
  • carbamic acid 3-(p-chlorophenoxy)-2-hydroxypropyl ester
  • Chlorphenesin carbamate
External IDs
  • U 19646
  • U-19,646
  • U-19646
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

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International/Other Brands
Kolpicortin / Maolate (UpJohn) / Rinlaxer

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Chlorobenzenes / Alkyl aryl ethers / Aryl chlorides / Carbamate esters / Secondary alcohols / Organic carbonic acids and derivatives / Organopnictogen compounds / Organonitrogen compounds / Organochlorides
show 3 more
Substituents
Alcohol / Alkyl aryl ether / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Chlorobenzene / Ether
show 14 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
carbamate ester, secondary alcohol, monochlorobenzenes (CHEBI:3643)
Affected organisms
Not Available

Chemical Identifiers

UNII
57U5YI11WP
CAS number
886-74-8
InChI Key
SKPLBLUECSEIFO-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)
IUPAC Name
3-(4-chlorophenoxy)-2-hydroxypropyl carbamate
SMILES
NC(=O)OCC(O)COC1=CC=C(Cl)C=C1

References

General References
Not Available
KEGG Drug
D00770
KEGG Compound
C07930
ChemSpider
2623
ChEBI
3643
ChEMBL
CHEMBL607710
Wikipedia
Chlorphenesin_carbamate

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentPancreatic Cancer1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.39 mg/mLALOGPS
logP0.96ALOGPS
logP1.21Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)13.61Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area81.78 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity57.41 m3·mol-1Chemaxon
Polarizability23.8 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-0f92-8790000000-b714eb357b4beb6a9d12
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-9000000000-085d65052ec5d6b02df3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-9200000000-67e1dbcb86d887e40c5b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v09-5900000000-24e27ab3ef03b133ac71
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9500000000-61b035b0ebd1b5c9e5a1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-6910000000-5cfe7a934afa05fff26c
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]-148.73369
predicted
DeepCCS 1.0 (2019)
[M+H]+151.09169
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.48988
predicted
DeepCCS 1.0 (2019)

Drug created at September 02, 2018 00:15 / Updated at February 21, 2021 18:54