paracetamol   

GtoPdb Ligand ID: 5239

Synonyms: acetaminophen | Panadol® | Tylenol®
paracetamol is an approved drug (FDA (1968))
Compound class: Synthetic organic
Comment: Paracetamol is approved by the US FDA as acetaminophen. Paracetamol is a widely used analgesic and antipyretic drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 49.33
Molecular weight 151.06
XLogP 0.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)Nc1ccc(cc1)O
Isomeric SMILES CC(=O)Nc1ccc(cc1)O
InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1968))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
N-(4-hydroxyphenyl)acetamide
International Nonproprietary Names
INN number INN
626 paracetamol
Synonyms
acetaminophen | Panadol® | Tylenol®
Database Links
BitterDB Ligand 121
CAS Registry No. 103-90-2
ChEBI CHEBI:46195
ChEMBL Ligand CHEMBL112
DrugBank Ligand DB00316
DrugCentral Ligand 52
GtoPdb PubChem SID 178101923
Immunopaedia Search paracetamol
NURSA Ligand 10.1621/GD8KMY1JJH
PubChem CID 1983
RCSB PDB Ligand TYL
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Search UniChem for chemical match using the InChIKey RZVAJINKPMORJF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RZVAJINKPMORJF
Wikipedia Paracetamol

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Tocris
Acetaminophen
Cat. No. 1706