PFL

2,6-BIS(1-METHYLETHYL)PHENOL

Created: 2000-08-29
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count31
Aromatic Bond Count6
2D diagram of PFL
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Chemical Component Summary

Name2,6-BIS(1-METHYLETHYL)PHENOL
Synonyms2,6-DIISOPROPYLPHENOL; PROPOFOL
Systematic Name (OpenEye OEToolkits)2,6-di(propan-2-yl)phenol
FormulaC12 H18 O
Molecular Weight178.271
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc1c(cccc1C(C)C)C(C)C
SMILESCACTVS3.341CC(C)c1cccc(C(C)C)c1O
SMILESOpenEye OEToolkits1.5.0CC(C)c1cccc(c1O)C(C)C
Canonical SMILESCACTVS3.341 CC(C)c1cccc(C(C)C)c1O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)c1cccc(c1O)C(C)C
InChIInChI1.03 InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyInChI1.03 OLBCVFGFOZPWHH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00818 
NamePropofol
Groups
  • approved
  • vet_approved
  • investigational
DescriptionPropofol is an intravenous anaesthetic agent used for induction and maintenance of general anaesthesia. IV administration of propfol is used to induce unconsciousness after which anaesthesia may be maintained using a combination of medications. Recovery from propofol-induced anaesthesia is generally rapid and associated with less frequent side effects (e.g. drowsiness, nausea, vomiting) than with thiopental, methohexital, and etomidate. Propofol may be used prior to diagnostic procedures requiring anaesthesia, in the management of refractory status epilepticus, and for induction and/or maintenance of anaesthesia prior to and during surgeries.
Synonyms
  • 2,6-bis(1-methylethyl)phenol
  • 2,6-Diisopropylphenol
  • Propofol
  • Propofolum
Brand Names
  • Propofol-II Injection
  • Propofol Injectable Emulsion
  • Anesthesia S/I-40
  • Propofol 1%
  • Anesthesia S/I-60
IndicationUsed for induction and/or maintenance of anaesthesia and for management of refractory status epilepticus.
Categories
  • Agents Causing Muscle Toxicity
  • Agents that produce hypertension
  • Agents that reduce seizure threshold
  • Anesthetics
  • Anesthetics, General
ATC-CodeN01AX10
CAS number2078-54-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Gamma-aminobutyric acid receptor subunit beta-2MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIR...unknownpotentiator
Gamma-aminobutyric acid receptor subunit beta-3MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDI...unknownpotentiator
GABA(A) ReceptorMRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...unknownpositive allosteric modulator
Sodium channel protein type 4 subunit alphaMARPSLCTLVPLGPECLRPFTRESLAAIEQRAVEEEARLQRNKQMEIEEP...unknowninhibitor
Sodium channel protein type 2 subunit alphaMAQSVLVPPGPDSFRFFTRESLAAIEQRIAEEKAKRPKQERKDEDDENGP...unknowninhibitor
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL526
PubChem 4943
ChEMBL CHEMBL526
ChEBI CHEBI:44915
CCDC/CSD ICEYEV, OXICUV02, EWIKAY, XOJYEC02, GAPTOG01, XOJYEC, GAPTOG, XOJYEC01, EWIJUR, MENXAI
COD 4510269, 4510267, 4510268