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).
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2D Structure
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Physico-chemical Properties
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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
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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 Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
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Wikipedia Propofol