NAV

Resorcinol monoacetate

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

Identification

Generic Name
Resorcinol monoacetate
DrugBank Accession Number
DB15480
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 152.149
Monoisotopic: 152.047344118
Chemical Formula
C8H8O3
Synonyms
  • Resorcinol acetate
  • Resorcinol monoacetate
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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
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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Euresol
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Thomas Formula No 28Resorcinol monoacetate (3.53 %) + Benzyl alcohol (.4386 %) + Salicylic acid (.4386 %) + Urea (1.77 %)LiquidTopicalThomas Hair And Scalp Specialists1974-12-311997-01-08Canada flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YL6O37RD1S
CAS number
102-29-4
InChI Key
ZZPKZRHERLGEKA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
IUPAC Name
3-hydroxyphenyl acetate
SMILES
CC(=O)OC1=CC(O)=CC=C1

References

General References
Not Available
KEGG Compound
C12064
ChemSpider
4879
RxNav
2106739
ChEBI
29672
ChEMBL
CHEMBL1593874
ZINC
ZINC000000002029

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.34 mg/mLALOGPS
logP1.78ALOGPS
logP1.28Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)9.03Chemaxon
pKa (Strongest Basic)-6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.53 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity39.17 m3·mol-1Chemaxon
Polarizability15.04 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-03di-3900000000-5b277810be5ef5ae77db
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-0900000000-c4e7a598e64a93ec1af3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03e9-9700000000-9f0833ef3d1e9881aa39
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-7900000000-f2262667f4cbaebc1111
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-9000000000-77233feec0b28b2e4750
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9100000000-7d856ab3d1d8e872bcb7
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]-135.5435102
predicted
DarkChem Lite v0.1.0
[M-H]-124.724846
predicted
DeepCCS 1.0 (2019)
[M+H]+136.0259102
predicted
DarkChem Lite v0.1.0
[M+H]+128.55287
predicted
DeepCCS 1.0 (2019)
[M+Na]+135.6050102
predicted
DarkChem Lite v0.1.0
[M+Na]+137.84267
predicted
DeepCCS 1.0 (2019)

Drug created at August 30, 2019 15:47 / Updated at February 21, 2021 18:55