propofol   Click here for help

GtoPdb Ligand ID: 5464

Synonyms: 2,6-diisopropylphenol | Diprivan® | ICI 35868
Approved drug PDB Ligand
propofol is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Propofol is a short-acting (lasting 5-10 minutes) sedative.
Propofol is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019).
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: propofol

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 178.14
XLogP 4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(c1cccc(c1O)C(C)C)C
Isomeric SMILES CC(c1cccc(c1O)C(C)C)C
InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChI Key OLBCVFGFOZPWHH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
Prodrug fospropofol
IUPAC Name Click here for help
2,6-bis(propan-2-yl)phenol
International Nonproprietary Names Click here for help
INN number INN
5073 propofol
Synonyms Click here for help
2,6-diisopropylphenol | Diprivan® | ICI 35868
Database Links Click here for help
CAS Registry No. 2078-54-8
ChEBI CHEBI:44915
ChEMBL Ligand CHEMBL526
DrugBank Ligand DB00818
DrugCentral Ligand 2302
GtoPdb PubChem SID 178102114
PubChem CID 4943
RCSB PDB Ligand PFL
Search Google for chemical match using the InChIKey OLBCVFGFOZPWHH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OLBCVFGFOZPWHH
Search PubMed clinical trials propofol
Search PubMed titles propofol
Search PubMed titles/abstracts propofol
UniChem Compound Search for chemical match using the InChIKey OLBCVFGFOZPWHH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OLBCVFGFOZPWHH-UHFFFAOYSA-N
Wikipedia Propofol