CHEBI:102524 - butalbital

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ChEBI Name butalbital
ChEBI ID CHEBI:102524
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N2O3
Net Charge 0
Average Mass 224.25630
Monoisotopic Mass 224.116
InChI InChI=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)
InChIKey UZVHFVZFNXBMQJ-UHFFFAOYSA-N
SMILES CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O
Roles Classification
Biological Role(s): 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.
(via barbiturates )
Application(s): 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.
(via barbiturates )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
butalbital ChemIDplus
butalbitalum ChemIDplus
Synonyms Sources
5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione ChEBI
5-allyl-5-(2'-methyl-n-propyl) barbituric acid ChemIDplus
5-allyl-5-(2-methylpropyl)barbituric acid NIST Chemistry WebBook
5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione NIST Chemistry WebBook
5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione ChEMBL
5-allyl-5-isobutylbarbituric acid ChemIDplus
5-isobutyl-5-allylbarbituric acid ChEBI
allylbarbital ChemIDplus
allylbarbitone NIST Chemistry WebBook
allylbarbituric acid ChemIDplus
butalbarbital ChemIDplus
iso-butylallylbarbituric acid ChemIDplus
itobarbital ChemIDplus
tetrallobarbital ChemIDplus
Manual Xrefs Databases
441 DrugCentral
Butalbital Wikipedia
D03182 KEGG DRUG
DB00241 DrugBank
HMDB0014386 HMDB
LSM-5793 LINCS
View more database links
Registry Numbers Types Sources
202119 Reaxys Registry Number Reaxys
202119 Beilstein Registry Number Beilstein
77-26-9 CAS Registry Number NIST Chemistry WebBook
77-26-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23682958 PubMed citation Europe PMC
24400754 PubMed citation Europe PMC
6864729 PubMed citation ChEMBL
Last Modified
22 February 2017