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Pentobarbital Sodium

fo-bb9faa1953f90f89

Identity

Type
Molecular complex
CAS
57-33-0
EC
200-323-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pentobarbital Sodium

Alternative labels

46

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QGMRQYFBGABWDR-UHFFFAOYSA-M, UAMVYWFSQGYHFV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H18N2O3.Na/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);
IUPAC name chemrof:IUPAC_name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt
Molecular formula chemrof:molecular_formula C11H17N2NaO3, C11H17N2O3.Na, C11H18N2NaO3
SMILES string chemrof:smiles_string CCCC(C)C1(CC)C(=O)NC(=O)NC1=O.[Na]

Known URLs

17

Where 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=57-33-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7984 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.294 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021712 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL971 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0304826 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07423 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00500 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07423 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00500 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71073 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47662 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL971 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23676152 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/203085 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27107638 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0da2493b-5230-4a32-ab89-06f2b994bf16 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7f27e585-b1ba-43f3-8fdf-9a1bd42099de Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7d0ab0bf-490f-41b4-929e-20823df43d2d Environmental → Air → Indoor EF 3.1 kg 2
6a61e165-271b-474a-a5f8-2e99bdd312b0 Environmental → Air → Long-term EF 3.1 kg 0
2ce003f4-552a-45e3-a6c9-baecb9a9b743 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8edde9f3-e5e4-4532-80cd-7ca2c7b38a7c Environmental → Air → Unknown EF 3.1 kg 2
2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b Environmental → Ground → Agricultural EF 3.1 kg 2
e5e4c1fd-1f48-4d07-a7f7-1642a365a36a Environmental → Ground → Non-agricultural EF 3.1 kg 2
0d5c93d4-aad9-44df-9f02-58d1f8326f86 Environmental → Ground → Unknown EF 3.1 kg 2
98eba540-abdf-46f0-8ce0-75c1b946b8e6 Environmental → Water → Long-term EF 3.1 kg 0
82eeae73-4a6c-467e-9655-6e6ce3e534a8 Environmental → Water → Ocean EF 3.1 kg 2
d97e96b8-ad42-4d00-a5e7-e3359cacbbb3 Environmental → Water → Surface water EF 3.1 kg 2
8c527b3d-cb06-4007-a547-c831b237d8f9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-bb9faa1953f90f89",
  "prefLabel": [
    {
      "@value": "Pentobarbital Sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Ethyl-5-(1-methylbutyl) barbituric acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "844",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Auropan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barpental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biosedan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butylone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diabutal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Embutal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Entobar",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Etaminal sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethaminal sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Euthanyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Euthatal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobarb",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mebubarbital sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mebumal sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mebunat",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Napental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Narcoren",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nembutal sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pacifan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentobarbitone sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentonal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Praecicalm",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "RS-Pentobarbital sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sagatal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 5-ethyl-5-(1-methylbutyl)barbiturate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium ethaminal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium nembutal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium pental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium pentobarbital",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium pentobarbitone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57-33-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-33-0"
        ],
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