EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:102524 - butalbital

ChEBI IDCHEBI:102524
ChEBI Namebutalbital
Stars
DefinitionA member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache.
Last Modified22 February 2017
DownloadsMolfile
FormulaC11H16N2O3
Net Charge0
Average Mass224.260
Monoisotopic Mass224.11609
SMILESC=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeyUZVHFVZFNXBMQJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Applications:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
butalbital (CHEBI:102524) has functional parent barbituric acid (CHEBI:16294)
butalbital (CHEBI:102524) has role analgesic (CHEBI:35480)
butalbital (CHEBI:102524) has role sedative (CHEBI:35717)
butalbital (CHEBI:102524) is a barbiturates (CHEBI:22693)
IUPAC Name 
5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
INNs  Source
butalbitalChemIDplus
butalbitalumChemIDplus
Synonyms  Source
5-Allyl-5-isobutyl-pyrimidine-2,4,6-trioneChEMBL
5-allyl-5-(2'-methyl-n-propyl) barbituric acidChemIDplus
5-allyl-5-isobutylbarbituric acidChemIDplus
allylbarbitoneNIST Chemistry WebBook
allylbarbitalChemIDplus
allylbarbituric acidChemIDplus
Manual XrefsDatabases
DB00241DrugBank
D03182KEGG DRUG
ButalbitalWikipedia
HMDB0014386HMDB
LSM-5793LINCS
441DrugCentral
Registry NumbersSources
Reaxys:202119Reaxys
CAS:77-26-9ChemIDplus
CAS:77-26-9NIST Chemistry WebBook
Citations