Peracetic acid

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

Identification

Generic Name
Peracetic acid
DrugBank Accession Number
DB14556
Background

A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 76.0514
Monoisotopic: 76.016043994
Chemical Formula
C2H4O3
Synonyms
  • Acide peracetique
  • Acido peroxiacetico
  • Ethaneperoxic acid
  • Ethaneperoxoic acid
  • PAA
  • Peroxoacetic acid
  • Peroxyacetic acid
External IDs
  • BRN 1098464
  • Caswell No. 644

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
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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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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Bacteria Zero PremiumLiquid0.01 g/100mLTopicalKUMSUNG ENC CO., LTD2020-08-24Not applicableUS flag
Bacteria Zero PremiumLiquid0.015 g/100mLTopicalKUMSUNG E&C CO., LTD2022-01-01Not applicableUS flag
Blowhale Deodorant SenitizerLiquid0.01 g/100mLTopicalKUMSUNG E&C CO., LTD2022-01-01Not applicableUS flag
Care PlusLiquid0.05 g/100mLTopicalValley Inc.2021-04-01Not applicableUS flag
Clean WorksLiquid0.125 g/100mLTopicalSOYSKOREA CO., LTD2020-05-07Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Bacteria Zero PremiumPeracetic acid (0.01 g/100mL)LiquidTopicalKUMSUNG ENC CO., LTD2020-08-24Not applicableUS flag
Bacteria Zero PremiumPeracetic acid (0.015 g/100mL)LiquidTopicalKUMSUNG E&C CO., LTD2022-01-01Not applicableUS flag
Blowhale Deodorant SenitizerPeracetic acid (0.01 g/100mL)LiquidTopicalKUMSUNG E&C CO., LTD2022-01-01Not applicableUS flag
Care PlusPeracetic acid (0.05 g/100mL)LiquidTopicalValley Inc.2021-04-01Not applicableUS flag
Clean WorksPeracetic acid (0.125 g/100mL)LiquidTopicalSOYSKOREA CO., LTD2020-05-07Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
I6KPI2E1HD
CAS number
79-21-0
InChI Key
KFSLWBXXFJQRDL-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
IUPAC Name
ethaneperoxoic acid
SMILES
CC(=O)OO

References

General References
Not Available
Human Metabolome Database
HMDB0031608
ChemSpider
6336
BindingDB
50266095
RxNav
2045732
ChEMBL
CHEMBL444965
ZINC
ZINC000038141555
PDBe Ligand
F50
Wikipedia
Peracetic_acid
PDB Entries
2iuf / 5h3h / 5wj1 / 5wkc / 7u1d

Clinical Trials

Clinical Trials

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical0.01 g/100mL
LiquidTopical0.015 g/100mL
LiquidTopical0.05 g/100mL
LiquidTopical0.125 g/100mL
LiquidTopical5 g/100mL
LiquidDental5 g/100mL
LiquidTopical0.26 g/100mL
LiquidTopical8.0 g/4000mL
SprayTopical0.15 g/60mL
SprayTopical0.26 g/100mL
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility366.0 mg/mLALOGPS
logP-0.7ALOGPS
logP-0.3Chemaxon
logS0.68ALOGPS
pKa (Strongest Acidic)7.69Chemaxon
pKa (Strongest Basic)-6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.53 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity14.28 m3·mol-1Chemaxon
Polarizability6.17 Å3Chemaxon
Number of Rings0Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000x-9000000000-94eed572be142ec27866
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-c1d8545e9276e6051d33
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-3d1a67ac306e92655da2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-276b816a931ff24e67f2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-9000000000-8fd4801d11d68f75ef5f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9000000000-7484e81577c2d70bfb23
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-3c1d3dc55480529f11c1
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]-102.3309476
predicted
DarkChem Lite v0.1.0
[M-H]-102.3025476
predicted
DarkChem Lite v0.1.0
[M-H]-117.05342
predicted
DeepCCS 1.0 (2019)
[M+H]+102.9157476
predicted
DarkChem Lite v0.1.0
[M+H]+102.8913476
predicted
DarkChem Lite v0.1.0
[M+H]+118.94883
predicted
DeepCCS 1.0 (2019)
[M+Na]+102.7430476
predicted
DarkChem Lite v0.1.0
[M+Na]+102.6435476
predicted
DarkChem Lite v0.1.0
[M+Na]+126.89601
predicted
DeepCCS 1.0 (2019)

Drug created at July 20, 2018 16:01 / Updated at June 12, 2020 16:53