Compound: propofol
SMILES: Oc1c(cccc1C(C)C)C(C)C
InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
Synonyms: propofol, 2,6-DIISOPROPYLPHENOL, 2078-54-8, Diprivan, Disoprofol, Disoprivan, Fresofol, Rapinovet, Ampofol, 2,6-Bis(1-methylethyl)phenol, Propofolum, Phenol, 2,6-bis(1-methylethyl)-, ICI 35868, Propovan, ICI-35868, Propoven, Lipuro, 2,6 Diisopropylphenol, 2,6-bis(propan-2-yl)phenol, ICI 35,868, DTXSID6023523, YI7VU623SF, ICI35,868, BRN 1866484, NSC5105, Phenol, 2,6-bis(1-methylethyl), ICI 35-868, DTXCID103523, CHEBI:44915, KETAFOL COMPONENT PROPOFOL, 4-06-00-03435 (Beilstein Handbook Reference), Propofol MCT, Rapanofal, PropoClear, PropoFlo, Propofol Lipuro, Propovan CF, Propofol 1%, ICI35868, PropoFlo 28, PropofolVet Multidose, RefChem:6169, PropoFlo, PropoFlo 28, Propofol Injectable Emulsion, N01AX10, 218-206-6, Diisopropylphenol, 2,6-di(propan-2-yl)phenol, Recofol, Ivofol, Propofol-Lipuro, Pofol, Phenol, 2,6-diisopropyl-, 2,6-Diisopropyl phenol, Diprifusor, Diprofol, Diprivan 10, MFCD00008885, NSC 5105, 2,6-diisopropyl-phenol, 2,6-bis(Isopropyl)phenol, CHEMBL526, NSC-5105, Propofolum [Latin], NCGC00015389-08, Aquafol, CAS-2078-54-8, Diprivan Injectable emulsion, Dipravan, Aquafo, Propofol IDD-D, Diprivan (TN), SMR000059151, CCRIS 9000, HSDB 7123, 2, 6-Diisopropylphenol, SR-01000075468, EINECS 218-206-6, UNII-YI7VU623SF, DDS-04F, ghl.PD_Mitscher_leg0.558, AI3-26295, Propofol CRS, Propofol [USAN:USP:INN:BAN], Propofol (Standard), ZD-0859, Phenol,6-diisopropyl-, PROPOFOL [HSDB], PROPOFOL [USAN], PROPOFOL [INN], PROPOFOL [JAN], PROPOFOL [MI], PROPOFOL [VANDF], Prestwick0_000931, Prestwick1_000931, Prestwick2_000931, Prestwick3_000931, 2,6-di isopropyl phenol, PROPOFOL [MART.], 2,6-dipropan-2-ylphenol, Biomol-NT_000248, Lopac-D126608, PROPOFOL [USP-RS], PROPOFOL [WHO-DD], 2,6-bis(methylethyl)phenol, Propofol (JAN/USP/INN), Lopac0_000437, SCHEMBL36245, BSPBio_000862, MLS001066348, MLS001335999, MLS002454360, BIDD:GT0436, PROPOFOL [GREEN BOOK], SCHEMBL199413, SPECTRUM1505022, Propofol, 1mg/ml in Methanol, SPBio_003031, 2,6-Diisopropylphenol, 97%, PROPOFOL [EP IMPURITY], PROPOFOL [ORANGE BOOK], BPBio1_000950, BPBio1_000969, GTPL5464, Phenol,6-bis(1-methylethyl)-, SCHEMBL1927985, SCHEMBL9244695, PROPOFOL [EP MONOGRAPH], PROPOFOL [USP IMPURITY], Propofol, 10mg/ml in Methanol, Propofol, 50mg/ml in Methanol, PROPOFOL [USP MONOGRAPH], SCHEMBL28060096, HY-B0649R, Propofol 1.0 mg/ml in Methanol, Propofol, 100mg/ml in Methanol, 2,6-Diisopropylphenol, >=97%, 3f33, 3p50, GLXC-07381, HMS1570L04, HMS2089O21, HMS2094E17, HMS2097L04, HMS2231E16, HMS3259E03, HMS3261G16, HMS3369I16, HMS3714L04, Pharmakon1600-01505022, ALBB-036351, HY-B0649, LAC39354, MSK11350, Tox21_110134, Tox21_201371, Tox21_303225, Tox21_500437, AC8633, BDBM50058046, EBC-13390, NSC758909, Propofol for peak identification CRS, Phenol, 2, 6-bis(1-methylethyl)-, AKOS009159417, Tox21_110134_1, AC-2038, CCG-204529, CS-W020057, DB00818, FP27213, LP00437, NC00449, NSC-758909, SDCCGMLS-0318084.P029, SDCCGSBI-0050422.P002, 2,6-DIISOPROPYLPHENOL; PROPOFOL, MLS-0318084, NCGC00015389-01, NCGC00015389-02, NCGC00015389-03, NCGC00015389-04, NCGC00015389-05, NCGC00015389-06, NCGC00015389-07, NCGC00015389-09, NCGC00015389-10, NCGC00015389-11, NCGC00015389-14, NCGC00015389-17, NCGC00091538-01, NCGC00091538-02, NCGC00091538-03, NCGC00091538-04, NCGC00091538-05, NCGC00091538-06, NCGC00257228-01, NCGC00260670-01, NCGC00261122-01, AS-13299, SY013479, 2,6-Diisopropylphenol, analytical standard, MLS-0318084.P017, AB00513968, D0617, EU-0100437, NS00007907, ST50405911, EN300-52468, C07523, D00549, AB00513968-07, AB00513968_08, D126608, Q422740, SR-01000075468-1, SR-01000075468-4, SR-01000075468-6, BRD-K82255054-001-03-5, BRD-K82255054-001-08-4, BRD-K82255054-001-15-9, BRD-K82255054-001-17-5, Propofol, British Pharmacopoeia (BP) Reference Standard, Propofol, European Pharmacopoeia (EP) Reference Standard, Z752915492, Propofol, United States Pharmacopeia (USP) Reference Standard, Propofol, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H, Propofol for peak identification, European Pharmacopoeia (EP) Reference Standard, 113981-41-2
Theoretical properties:
molecular_formula: C12H18O
molecular_weight: 178.27 g/mol
exact_mass: 178.135765193 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 13
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Light-straw-colored liquid
color: Light-straw-colored liquid
density: 0.955 g/cu cm @ 20 °C
Descriptions:
pubchem: Propofol is a phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. It has a role as an anticonvulsant, a sedative, an intravenous anaesthetic, a radical scavenger and an antiemetic.
chebi: A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.
chembl: PROPOFOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Propofol is the active component of an intravenous anesthetic formulation used for induction and maintenance of general anesthesia. The formulation was approved under the brand name Diprivan. Numerous generic versions have since been released. Intravenous administration is used to induce unconsciousness, after which anesthesia may be maintained using a combination of medications. It is manufactured as part of a sterile injectable emulsion formulation using soybean oil and lecithin, giving it a white milky coloration.
Compared to other anesthetic agents, recovery from propofol-induced anesthesia is generally rapid and associated with less frequent side effects (e.g., drowsiness, nausea, vomiting). Propofol may be used prior to diagnostic procedures requiring anesthesia, in the management of refractory status epilepticus, and for induction or maintenance of anesthesia prior to and during surgeries. It may be administered as a bolus or an infusion, or as a combination of the two.
First synthesized in 1973 by John B. Glen, a British veterinary anesthesiologist working for Imperial Chemical Industries (ICI, later AstraZeneca), propofol was introduced for therapeutic use as a lipid emulsion in the United Kingdom and New Zealand in 1986. Propofol (Diprivan) received FDA approval in October 1989. It is on the World Health Organization's List of Essential Medicines.