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CHEBI:8069 - phenobarbital

ChEBI IDCHEBI:8069
ChEBI Namephenobarbital
Stars
DefinitionA member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.
Secondary ChEBI IDCHEBI:102217
Last Modified22 February 2017
DownloadsMolfile

FormulaC12H12N2O3
Net Charge0
Average Mass232.239
Monoisotopic Mass232.08479
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyDDBREPKUVSBGFI-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
INN  Source
phenobarbitalChemIDplus
Synonyms  Source
PhenobarbitalKEGG COMPOUND
5-Ethyl-5-phenylbarbituric acidChemIDplus
5-Phenyl-5-ethylbarbituric acidChemIDplus
5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneNIST Chemistry WebBook
PhenobarbitolDrugBank
Phenobarbituric AcidDrugBank
Brand Name  Source
LuminalDrugBank
Manual XrefsDatabases
C07434KEGG COMPOUND
D00506KEGG DRUG
DB01174DrugBank
US1025872Patent
PhenobarbitalWikipedia
HMDB0015305HMDB
2134DrugCentral
Registry NumbersSources
Gmelin:336231Gmelin
Reaxys:233363Reaxys
CAS:50-06-6KEGG COMPOUND
CAS:50-06-6ChemIDplus
CAS:50-06-6NIST Chemistry WebBook
Citations