p-Aminophenol

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

Identification

Generic Name
p-Aminophenol
DrugBank Accession Number
DB14144
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 109.1259
Monoisotopic: 109.052763851
Chemical Formula
C6H7NO
Synonyms
  • 4-Aminobenzenol
  • 4-Aminophenol
  • 4-Hydroxyaniline
  • p-hydroxyaniline

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ACarbonic anhydrase 14
inhibitor
Humans
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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Product Ingredients
IngredientUNIICASInChI Key
p-Aminophenol hydrochlorideIWL2N22RFY51-78-5RVGOBWDGAVAVPJ-UHFFFAOYSA-N
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 5n Natural BrownLiquid0.01 mg/1mLTopicalModlina Cosmetics Co., Ltd2013-08-12Not applicableUS flag
SALON CODE Glam BrownLiquid0.34 g/100mLTopicalDaolcosmetic Co.,ltd2018-09-042018-09-10US flag
SALON CODE Glam CacaoLiquid0.44 g/100mLTopicalDaolcosmetic Co.,ltd2018-09-042018-09-10US flag
SALON CODE Glam Rose GoldLiquid0.8 g/100mLTopicalDaolcosmetic Co.,ltd2018-09-042018-09-10US flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
SALON CODE Glam Hair Color Glam Brownp-Aminophenol (0.34 g/100mL) + Hydrogen peroxide (5.845 g/100mL)KitTopicalDaolcosmetic Co.,ltd2018-09-04Not applicableUS flag
SALON CODE Glam Hair Color Glam Cacaop-Aminophenol (0.44 g/100mL) + Hydrogen peroxide (5.845 g/100mL)KitTopicalDaolcosmetic Co.,ltd2018-09-04Not applicableUS flag
SALON CODE Glam Hair Color Glam Rose Goldp-Aminophenol (0.8 g/100mL) + Hydrogen peroxide (5.845 g/100mL)KitTopicalDaolcosmetic Co.,ltd2018-09-04Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 5n Natural Brownp-Aminophenol (0.01 mg/1mL)LiquidTopicalModlina Cosmetics Co., Ltd2013-08-12Not applicableUS flag
SALON CODE Glam Brownp-Aminophenol (0.34 g/100mL)LiquidTopicalDaolcosmetic Co.,ltd2018-09-042018-09-10US flag
SALON CODE Glam Cacaop-Aminophenol (0.44 g/100mL)LiquidTopicalDaolcosmetic Co.,ltd2018-09-042018-09-10US flag
SALON CODE Glam Hair Color Glam Brownp-Aminophenol (0.34 g/100mL) + Hydrogen peroxide (5.845 g/100mL)KitTopicalDaolcosmetic Co.,ltd2018-09-04Not applicableUS flag
SALON CODE Glam Hair Color Glam Cacaop-Aminophenol (0.44 g/100mL) + Hydrogen peroxide (5.845 g/100mL)KitTopicalDaolcosmetic Co.,ltd2018-09-04Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
R7P8FRP05V
CAS number
123-30-8
InChI Key
PLIKAWJENQZMHA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
IUPAC Name
4-aminophenol
SMILES
NC1=CC=C(O)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0001169
KEGG Compound
C02372
ChemSpider
392
BindingDB
26195
RxNav
1435279
ChEBI
17602
ChEMBL
CHEMBL1142
ZINC
ZINC000004623758
PDBe Ligand
4NL
Wikipedia
4-Aminophenol
PDB Entries
2orl

Clinical Trials

Clinical Trials
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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical0.01 mg/1mL
LiquidTopical0.34 g/100mL
LiquidTopical0.44 g/100mL
KitTopical
LiquidTopical0.8 g/100mL
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility121.0 mg/mLALOGPS
logP0.47ALOGPS
logP0.84Chemaxon
logS0.04ALOGPS
pKa (Strongest Acidic)10.4Chemaxon
pKa (Strongest Basic)5.43Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area46.25 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity32.74 m3·mol-1Chemaxon
Polarizability11.23 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-5900000000-e64da39e73e3c0ea696c
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-6900000000-9c5bfea7a6ff3c845001
GC-MS Spectrum - EI-BGC-MSsplash10-0pe9-9300000000-8ff47e2157f6fbfe6754
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0f79-1890000000-c8247060f46131c693d1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-03di-1927000000-b873199d9ac85605a4df
Mass Spectrum (Electron Ionization)MSsplash10-0a4i-9700000000-00bffb48fd955696bccc
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-03di-3900000000-906f96b14dfdad2310de
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-014i-9000000000-d56be0077647bc66e962
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-014i-9000000000-937794addf5b73c988e9
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-2900000000-1d20b6ad92e8fe4dcb55
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-a2ef24cd14bbf8c49606
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-ea750b6a10fc13f3c066
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-d37b97126a4b39ba00dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9200000000-6c891e0770ce17242145
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-9000000000-d8db8e3525657ba599cc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-f9d4276d688d73c49b8b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-a2ef24cd14bbf8c49606
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-ea750b6a10fc13f3c066
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9200000000-6c891e0770ce17242145
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-d37b97126a4b39ba00dc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-f9d4276d688d73c49b8b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-9000000000-d8db8e3525657ba599cc
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-a2ef24cd14bbf8c49606
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-ea750b6a10fc13f3c066
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9200000000-6c891e0770ce17242145
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-d37b97126a4b39ba00dc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-f9d4276d688d73c49b8b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-9000000000-d8db8e3525657ba599cc
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-116.7574819
predicted
DarkChem Lite v0.1.0
[M-H]-116.9490819
predicted
DarkChem Lite v0.1.0
[M-H]-116.7430819
predicted
DarkChem Lite v0.1.0
[M-H]-119.100075
predicted
DeepCCS 1.0 (2019)
[M-H]-116.7574819
predicted
DarkChem Lite v0.1.0
[M-H]-116.9490819
predicted
DarkChem Lite v0.1.0
[M-H]-116.7430819
predicted
DarkChem Lite v0.1.0
[M-H]-116.7574819
predicted
DarkChem Lite v0.1.0
[M-H]-116.9490819
predicted
DarkChem Lite v0.1.0
[M-H]-116.7430819
predicted
DarkChem Lite v0.1.0
[M-H]-119.100075
predicted
DeepCCS 1.0 (2019)
[M-H]-119.100075
predicted
DeepCCS 1.0 (2019)
[M+H]+117.6470819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6059819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6477819
predicted
DarkChem Lite v0.1.0
[M+H]+122.36981
predicted
DeepCCS 1.0 (2019)
[M+H]+117.6470819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6059819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6477819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6470819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6059819
predicted
DarkChem Lite v0.1.0
[M+H]+117.6477819
predicted
DarkChem Lite v0.1.0
[M+H]+122.36981
predicted
DeepCCS 1.0 (2019)
[M+H]+122.36981
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.0863819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8640819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8988819
predicted
DarkChem Lite v0.1.0
[M+Na]+130.97664
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.0863819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8640819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8988819
predicted
DarkChem Lite v0.1.0
[M+Na]+117.0863819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8640819
predicted
DarkChem Lite v0.1.0
[M+Na]+116.8988819
predicted
DarkChem Lite v0.1.0
[M+Na]+130.97664
predicted
DeepCCS 1.0 (2019)
[M+Na]+130.97664
predicted
DeepCCS 1.0 (2019)

Targets

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insights and accelerate drug research.
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Learn more
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Reversible hydration of carbon dioxide
Specific Function
carbonate dehydratase activity
Gene Name
CA14
Uniprot ID
Q9ULX7
Uniprot Name
Carbonic anhydrase 14
Molecular Weight
37667.37 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at June 27, 2018 20:07 / Updated at August 26, 2024 19:22