loading...| Preferred Name |
butalbital |
|
| Synonyms |
tetrallobarbital butalbarbital 5-allyl-5-(2-methylpropyl)barbituric acid 5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-(2'-methyl-n-propyl) barbituric acid 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione itobarbital 5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione allylbarbital 5-isobutyl-5-allylbarbituric acid iso-butylallylbarbituric acid allylbarbitone 5-allyl-5-isobutylbarbituric acid butalbitalum allylbarbituric acid butalbital 5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_102524 |
|
| alternative label |
tetrallobarbital butalbarbital 5-allyl-5-(2-methylpropyl)barbituric acid 5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-(2'-methyl-n-propyl) barbituric acid 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione itobarbital 5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione allylbarbital 5-isobutyl-5-allylbarbituric acid iso-butylallylbarbituric acid allylbarbitone 5-allyl-5-isobutylbarbituric acid butalbitalum allylbarbituric acid butalbital 5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| charge |
0 |
|
| database_cross_reference |
LINCS:LSM-5793 HMDB:HMDB0014386 CAS:77-26-9 Drug_Central:441 Beilstein:202119 PMID:6864729 Reaxys:202119 Wikipedia:Butalbital DrugBank:DB00241 PMID:24400754 PMID:23682958 KEGG:D03182 |
|
| 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. |
|
| formula |
C11H16N2O3 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
tetrallobarbital butalbarbital 5-allyl-5-(2-methylpropyl)barbituric acid 5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-(2'-methyl-n-propyl) barbituric acid 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione itobarbital 5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione allylbarbital 5-isobutyl-5-allylbarbituric acid iso-butylallylbarbituric acid allylbarbitone 5-allyl-5-isobutylbarbituric acid butalbitalum allylbarbituric acid butalbital |
|
| has_RxCUI |
19860 |
|
| id |
CHEBI:102524 |
|
| in_subset | ||
| 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 |
|
| label |
butalbital |
|
| mass |
224.25630 |
|
| monoisotopicmass |
224.11609 |
|
| notation |
CHEBI:102524 |
|
| prefLabel |
butalbital |
|
| smiles |
CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O |
|
| subClassOf |