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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_7983
http://purl.obolibrary.org/obo/CHEBI_7983
|
|---|---|
| Preferred Name | pentobarbital |
| 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.
|
| Synonyms |
Nembutal
5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione
Pentobarbitone
5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-ethyl-5-(sec-pentyl)barbituric acid
5-ethyl-5-(1-methylbutyl)barbituric acid
5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Pentobarbital
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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. |
|---|---|
| label |
pentobarbital
|
| prefLabel |
pentobarbital
|
| database_cross_reference |
HMDB:HMDB0014457
PMID:2579237
PMID:19879734
PMID:1977910
Reaxys:87067
PMID:23345614
PMID:9412440
PMID:15324906
PMID:9599235
PMID:23663566
PMID:23246494
PMID:3654008
KEGG:D00499
DrugBank:DB00312
PMID:9016329
PMID:15857133
KEGG:C07422
PMID:16720246
Wikipedia:Pentobarbital
Gmelin:281792
LINCS:LSM-1566
PMID:7154009
PMID:15801854
PMID:23526799
VSDB:3000
Drug_Central:2095
CAS:76-74-4
PMID:2215478
PMID:3599019
PMID:6864729
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|
| notation |
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)
|
| has_related_synonym |
Nembutal
5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione
Pentobarbitone
5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-ethyl-5-(sec-pentyl)barbituric acid
5-ethyl-5-(1-methylbutyl)barbituric acid
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|
| id |
CHEBI:7983
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C11H18N2O3
|
| subClassOf | |
| inchikey |
WEXRUCMBJFQVBZ-UHFFFAOYSA-N
|
| mass |
226.27230
|
| monoisotopicmass |
226.13174
|
| has_alternative_id |
CHEBI:102327
|
| type | |
| smiles |
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
|
| has role | |
| has_exact_synonym |
5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Pentobarbital
|
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