loading...| Preferred Name | pentobarbital | |
| Synonyms |
5-ethyl-5-(sec-pentyl)barbituric acid 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione 5-ethyl-5-(1-methylbutyl)barbituric acid 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Pentobarbitone Nembutal Pentobarbital 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| Definitions |
A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7983 |
|
| alternative label |
5-ethyl-5-(sec-pentyl)barbituric acid 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione 5-ethyl-5-(1-methylbutyl)barbituric acid 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Pentobarbitone Nembutal Pentobarbital 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| charge |
0 |
|
| database_cross_reference |
PMID:3599019 PMID:2215478 Wikipedia:Pentobarbital KEGG:C07422 PMID:9599235 PMID:9412440 Gmelin:281792 HMDB:HMDB0014457 PMID:19879734 LINCS:LSM-1566 PMID:6864729 PMID:2579237 PMID:7154009 PMID:16720246 PMID:1977910 PMID:15324906 Drug_Central:2095 PMID:23345614 PMID:23246494 Reaxys:87067 KEGG:D00499 PMID:15857133 DrugBank:DB00312 PMID:9016329 CAS:76-74-4 PMID:3654008 Beilstein:87067 PMID:15801854 PMID:23663566 PMID:23526799 VSDB:3000 |
|
| definition |
A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. |
|
| formula |
C11H18N2O3 |
|
| has role | ||
| has_alternative_id |
CHEBI:102327 |
|
| has_exact_synonym |
Pentobarbital 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
5-ethyl-5-(sec-pentyl)barbituric acid 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione 5-ethyl-5-(1-methylbutyl)barbituric acid 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Pentobarbitone Nembutal |
|
| has_RxCUI |
8004 |
|
| id |
CHEBI:7983 |
|
| in_subset | ||
| inchi |
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
|
| inchikey |
WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
|
| label |
pentobarbital |
|
| mass |
226.27230 |
|
| monoisotopicmass |
226.13174 |
|
| notation |
CHEBI:7983 |
|
| prefLabel |
pentobarbital |
|
| smiles |
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O |
|
| subClassOf |