Amobarbital
fo-c31f998139f46eb9
Identity
- Type
- Neutral molecule
- CAS
- 57-43-2
- EC
- 200-330-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
40- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
- 5-ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-ethyl-5-(3-methylbutyl)barbituric acid
- 5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
- 5-ethyl-5-isoamylbarbituric acid
- 5-ethyl-5-isopentylbarbituric acid
- 5-Isoamyl-5-ethylbarbituric acid
- Amal
- Amasust
- Amital
- Amobarbitone
- Amospan
- Amybal
- Amylbarbitone
- Amylobarbital
- amylobarbitone
- amytal
- barbamil
- barbamyl
- Barbamyl acid
- Barbituric acid, 5-ethyl-5-isopentyl-
- Binoctal
- Dorlotyn
- Dormytal
- Ethylisopentylbarbituric acid
- Eunoctal
- Isoamylethylbarbituric acid
- Isomyl
- Isomytal
- Isopentobarbital
- MeSH ID: D000654
- Mylodorm
- Pentymal
- Pentymalum
- Robarb
- Schiwanox
- Sednotic
- Somnal
- Stadadorm
- Sumital
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VIROVYVQCGLCII-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
| IUPAC name chemrof:IUPAC_name | 5-ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Molecular formula chemrof:molecular_formula | C11H18N2O3 |
| Molecular mass chemrof:molecular_mass | 226.276 |
| Monoisotopic mass chemrof:monoisotopic_mass | 226.13174, 226.131742 |
| SMILES string chemrof:smiles_string | CCC1(CCC(C)C)C(=O)NC(=O)NC1=O |
Known URLs
30Where 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=57-43-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2673 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.300 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9020081 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01351 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01351 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:184 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/184 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10815 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=120800 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32406 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL267894 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:281708 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GWH6IJ239E | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015440 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.381A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07536 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00555 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07536 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00555 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43512 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-5742 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76523 | enrich_references.pubchem_identifier_url |
| patent | patent:US3507960 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA448401 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL267894 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2164 | enrich_references.pubchem_compound |
| reaxys | reaxys:211172 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q415850 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Amobarbital | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4a3d2b67-ef82-4fe8-a6c3-40c5ae77b187 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1e07801e-8ea2-4b4d-9154-8721b8b46736 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 538702bf-aab2-465f-8f86-23b4740e228a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fd6e4a73-e9ef-48d7-97d5-780959100693 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 19b657d9-e57a-4775-9959-6ebe00c7a309 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 23164a08-c9a8-4a57-a390-ac3305a90300 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 12f5bcea-0e86-473e-a3fa-2628d7224ff6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 93e9cb90-91d4-41f2-81e9-c2459e0d72bb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 513b7417-47ff-4aa2-bd53-8ca786d309d9 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f7169b31-8c34-46e2-b5c4-6c7666814749 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 39bc6cdf-4155-4a5f-8f4e-79932b7aa2b6 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c0b756f8-e204-4ef0-a099-096917b7db1c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 865e3fc1-e0eb-4518-938d-de71753c4691 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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},
{
"@value": "Amobarbitone",
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{
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},
{
"@value": "Amybal",
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},
{
"@value": "Amylbarbitone",
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},
{
"@value": "Amylobarbital",
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},
{
"@value": "amylobarbitone",
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},
{
"@value": "amytal",
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},
{
"@value": "barbamil",
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},
{
"@value": "barbamyl",
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},
{
"@value": "Barbamyl acid",
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},
{
"@value": "Barbituric acid, 5-ethyl-5-isopentyl-",
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},
{
"@value": "Binoctal",
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},
{
"@value": "Dorlotyn",
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},
{
"@value": "Dormytal",
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},
{
"@value": "Ethylisopentylbarbituric acid",
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},
{
"@value": "Eunoctal",
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}
},
{
"@value": "Isoamylethylbarbituric acid",
"@language": "en",
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},
{
"@value": "Isomyl",
"@language": "en",
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},
{
"@value": "Isomytal",
"@language": "en",
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}
},
{
"@value": "Isopentobarbital",
"@language": "en",
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},
{
"@value": "MeSH ID: D000654",
"@language": "en",
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},
{
"@value": "Mylodorm",
"@language": "en",
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}
},
{
"@value": "Pentymal",
"@language": "en",
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},
{
"@value": "Pentymalum",
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},
{
"@value": "Robarb",
"@language": "en",
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"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"57-43-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=57-43-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=57-43-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"200-330-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=200-330-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
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"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_2673"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
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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