Phenobarbital
fo-33c3463c99580f59
Identity
- Type
- Neutral molecule
- CAS
- 50-06-6
- EC
- 200-007-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
65- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-
- 5-Ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Ethyl-5-phenyl-pyrimidine-2,4,6-trione
- 5-Ethyl-5-phenylbarbituric acid
- 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
- 5-Phenyl-5-ethylbarbituric acid
- Adonal
- Agrypnal
- Amylofene
- Barbenyl
- Barbiphenyl
- Barbipil
- Barbita
- Barbituric acid, 5-ethyl-5-phenyl-
- Barbivis
- Blu-phen
- Cratecil
- Dormiral
- Doscalun
- Duneryl
- Eskabarb
- Etilfen
- Euneryl
- Fenemal
- Fenemal recip
- Gardenal
- Gardepanyl
- Hysteps
- Lepinal
- Lepinaletten
- Liquital
- Lixophen
- Lubergal
- Luminal
- Luminalum
- MeSH ID: D010634
- Neurobarb
- Noptil
- Nunol
- Phenaemal
- Phenemal
- Phenobar
- Phenobarbitol
- Phenobarbitone
- Phenobarbituric Acid
- Phenoluric
- Phenonyl
- Phenylaethylbarbitursaeure
- Phenylethylbarbiturate
- Phenylethylbarbituric Acid
- Phenylethylbarbitursaeure
- PHENYLETHYLMALONYLUREA
- Phenyral
- Phob
- Sedonal
- Sedophen
- Sevenal
- Solfoton
- Somonal
- Stental Extentabs
- Talpheno
- Teolaxin
- Triphenatol
- Versomnal
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DDBREPKUVSBGFI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=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) |
| IUPAC name chemrof:IUPAC_name | 5-Ethyl-5-phenyl-pyrimidine-2,4,6-trione |
| Molecular formula chemrof:molecular_formula | C12H12N2O3 |
| Molecular mass chemrof:molecular_mass | 232.239 |
| Monoisotopic mass chemrof:monoisotopic_mass | 232.08479, 232.084792 |
| SMILES string chemrof:smiles_string | CCC1(c2ccccc2)C(=O)NC(=O)NC1=O |
Known URLs
83Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-06-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8069 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.007 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5021122 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01174 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01174 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2134 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2134 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=128143 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9848 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL40 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:336231 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YQE403BP4D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015305 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.499G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07434 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00506 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07434 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00506 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43392 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C739 | enrich_references.pubchem_identifier_url |
| patent | patent:US1025872 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450911 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL40 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4763 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018460 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10866370 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10891117 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11311072 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12361404 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12873507 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1495012 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15324906 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15857133 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16139502 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16190747 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16789751 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16793262 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1681105 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17300161 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17481896 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17827020 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17870541 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1875341 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1992141 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2061925 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2170646 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2296016 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2308141 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2308142 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2579237 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2724304 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3016269 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3336019 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3572984 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3599019 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3654008 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3735320 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3783589 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3783590 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3820228 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3950916 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3950919 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/4032429 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6716399 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6737420 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6864729 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7205879 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7381857 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7562939 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7799408 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8035421 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8230125 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8246220 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8627613 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8691481 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9016327 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9544213 | enrich_references.chebi_xrefs |
| reaxys | reaxys:233363 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/8134 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q407241 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phenobarbital | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c61c2-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f86-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e4cd5bed-bc96-4eef-9288-98d1b448f08a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f85-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9f87-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f84-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f82-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f8b-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f83-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f89-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-967e-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9f88-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1d7907edf3f27762177978c33b34629c3cc562ea | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-9f8a-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-33c3463c99580f59",
"prefLabel": [
{
"@value": "Phenobarbital",
"@language": "en",
"@lang": "en",
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],
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}
}
],
"altLabel": [
{
"@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Ethyl-5-phenyl-1,3-diazinane-2,4,6-trione",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione",
"@language": "en",
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},
{
"@value": "5-Ethyl-5-phenyl-pyrimidine-2,4,6-trione",
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}
},
{
"@value": "5-Ethyl-5-phenylbarbituric acid",
"@language": "en",
"@lang": "en",
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},
{
"@value": "5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",
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},
{
"@value": "5-Phenyl-5-ethylbarbituric acid",
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},
{
"@value": "Adonal",
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},
{
"@value": "Agrypnal",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Amylofene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbenyl",
"@language": "en",
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"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbiphenyl",
"@language": "en",
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"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbipil",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbita",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbituric acid, 5-ethyl-5-phenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barbivis",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Blu-phen",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cratecil",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dormiral",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Doscalun",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Duneryl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-06-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-06-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eskabarb",
"@language": "en",
"@lang": "en",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works