Preferred Name

pentobarbital

Synonyms

Nembutal

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

Pentobarbitone

Pentobarbital

5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-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

charge

0

database_cross_reference

PMID:6864729

PMID:23526799

PMID:23663566

Gmelin:281792

PMID:3599019

PMID:16720246

PMID:15857133

PMID:23345614

PMID:9412440

PMID:15324906

DrugBank:DB00312

VSDB:3000

HMDB:HMDB0014457

PMID:7154009

LINCS:LSM-1566

Beilstein:87067

PMID:9599235

PMID:1977910

PMID:23246494

PMID:2579237

PMID:9016329

KEGG:D00499

KEGG:C07422

CAS:76-74-4

Reaxys:87067

PMID:15801854

PMID:19879734

Drug_Central:2095

PMID:2215478

PMID:3654008

Wikipedia:Pentobarbital

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

http://purl.obolibrary.org/obo/CHEBI_91016

has_alternative_id

CHEBI:102327

has_exact_synonym

5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione

Pentobarbital

has_obo_namespace

chebi_ontology

has_related_synonym

Nembutal

5-ethyl-5-(sec-pentyl)barbituric acid

5-ethyl-5-(1-methylbutyl)barbituric acid

Pentobarbitone

5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione

id

CHEBI:7983

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

treeView

http://purl.obolibrary.org/obo/CHEBI_22693

subClassOf

http://purl.obolibrary.org/obo/CHEBI_22693

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Delete Mapping To Ontology Source
http://purl.jp/bio/4/id/200906048004068571 IOBC LOOM
http://purl.bioontology.org/ontology/SNMI/C-61390 SNMI LOOM
http://purl.obolibrary.org/obo/dinto_DB00312 DINTO LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_022141cd_45b9_4feb_a73c_4e38dfa984b9 CVAO LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_022141cd_45b9_4feb_a73c_4e38dfa984b9 STO-DRAFT LOOM
http://localhost/plosthes.2017-1#333 PLOSTHES LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D010424 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/001411 NDDF LOOM
http://id.loc.gov/authorities/subjects/sh85099645 FAST-TOPICAL LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Pentobarbital APAONTO LOOM
http://purl.obolibrary.org/obo/CHEBI_7983 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_7983 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7983 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_7983 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7983 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_7983 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/LNC/LP16241-9 LOINC LOOM
http://purl.bioontology.org/ontology/CSP/2517-5722 CRISP LOOM
http://purl.bioontology.org/ontology/LNC/LA28621-3 LOINC LOOM
http://d-nb.info/gnd/4173704-0 FAST-TOPICAL LOOM
http://purl.bioontology.org/ontology/MESH/D010424 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4018516 VANDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61885 NCIT LOOM
http://www.drugbank.ca/drugs/DB00312 FTC LOOM
http://purl.obolibrary.org/obo/XCO_0000107 XCO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146838 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU003433 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/8004 RXNORM LOOM
http://stirdf.jst.go.jp/id/200907029241590710 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.742.698.253.593 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372703009 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/UATC/N05CA01 ATC LOOM