paracetamol   Click here for help

GtoPdb Ligand ID: 5239

Synonyms: acetaminophen | Panadol® | Tylenol®
Approved drug PDB Ligand
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
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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
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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 Click here for help
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 Click here for help
N-(4-hydroxyphenyl)acetamide
International Nonproprietary Names Click here for help
INN number INN
626 paracetamol
Synonyms Click here for help
acetaminophen | Panadol® | Tylenol®
Database Links Click here for help
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
PubChem CID 1983
RCSB PDB Ligand TYL
Search Google for chemical match using the InChIKey RZVAJINKPMORJF-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey RZVAJINKPMORJF-UHFFFAOYSA-N
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Wikipedia Paracetamol

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Tocris
Acetaminophen
Cat. No. 1706