Record Information
Version1.0
Creation date2011-03-17 23:26:01 UTC
Update date2020-04-21 18:01:45 UTC
Primary IDFDB021663
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameUkonan D
DescriptionAcetaminophen, also known as tylenol or paracetamol, is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. Acetaminophen is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Acetaminophen can be synthesized from 4-aminophenol. Acetaminophen is also a parent compound for other transformation products, including but not limited to, acetaminophen glutathione conjugate, 2-methoxyacetaminophen glucuronide, and S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine. Acetaminophen has a bitter taste. Acetaminophen can be found primarily in most biofluids, including urine, saliva, feces, and cerebrospinal fluid (CSF), as well as throughout all human tissues. In humans, acetaminophen is involved in a couple of metabolic pathways, which include acetaminophen action pathway and acetaminophen metabolism pathway. Acetaminophen is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Acetaminophen is a drug which is used for temporary relief of fever, minor aches, and pains.
CAS Number141490-48-4
Structure
Thumb
Synonyms
SynonymSource
Ukonans; Ukonan Ddb_source
Predicted PropertiesNot Available
Chemical FormulaC8H9NO2
IUPAC name
InChI IdentifierInChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChI KeyRZVAJINKPMORJF-UHFFFAOYSA-N
Isomeric SMILESCC(=O)NC1=CC=C(O)C=C1
Average Molecular Weight151.1626
Monoisotopic Molecular Weight151.063328537
Classification
ClassificationNot classified
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionPowderDFC
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]23D +81.7 (c, 0.1 in H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHSF47-K:HSH57-X
EAFUS IDNot Available
Dr. Duke IDUKONAN-D
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).