Brightway Flows 1.0
GitHub

Primidone

fo-dd6d540b654c6ad3

Identity

Type
Neutral molecule
CAS
125-33-7
EC
204-737-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Primidone

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

34

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DQMZLTXERSFNPB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
IUPAC name chemrof:IUPAC_name 5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione
Molecular formula chemrof:molecular_formula C12H14N2O2
Molecular mass chemrof:molecular_mass 218.256
Monoisotopic mass chemrof:monoisotopic_mass 218.105528, 218.10553
SMILES string chemrof:smiles_string CCC1(c2ccccc2)C(=O)NCNC1=O

Known URLs

34

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=125-33-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8412 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7023510 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00794 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00794 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2267 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2267 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41701 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757291 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL856 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/13AFD7670Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014932 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.260C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07371 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00474 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07371 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00474 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2700 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43086 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47686 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA451105 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/8YMDC812PJGZ enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL856 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4909 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3249 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10716065 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17253477 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24712318 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24812533 enrich_references.chebi_xrefs
reaxys reaxys:218034 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8691 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q420383 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Primidone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
990f518f-70a2-456b-a74c-1bef11ee65a0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3bc92897-0329-48c9-b692-d9175f5d9b4c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
142d3108-749d-47bd-a1be-03f2bef44e1e Environmental → Air → Indoor EF 3.1 kg 2
82ff6075-77a3-494b-b86b-19d652102113 Environmental → Air → Long-term EF 3.1 kg 0
6c58e235-db96-4fd7-9606-1ac345c136fe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6e39cd42-37e6-460e-814b-32daafd96852 Environmental → Air → Unknown EF 3.1 kg 2
97a4db1b-9688-456e-bf13-5d553d8bb5ae Environmental → Ground → Agricultural EF 3.1 kg 2
fc572c39-0d0d-480e-9205-51c435b94f1e Environmental → Ground → Non-agricultural EF 3.1 kg 2
e631be49-375d-4f8f-b48c-d6db565106a4 Environmental → Ground → Unknown EF 3.1 kg 2
57691427-8e39-45d4-b1ca-de8bc73fff66 Environmental → Water → Long-term EF 3.1 kg 0
a42c4cf8-28d2-4e46-851d-86a157b4f19b Environmental → Water → Ocean EF 3.1 kg 2
7b31d77a-83a2-4410-a014-b3759e4aef2c Environmental → Water → Surface water EF 3.1 kg 2
7be8a1a4-62c7-4e55-8108-6f1bfd1fd251 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-dd6d540b654c6ad3",
  "prefLabel": [
    {
      "@value": "Primidone",
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  "altLabel": [
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        ],
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      }
    },
    {
      "@value": "4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-phenyl-",
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      "@value": "5-Ethyl-5-phenyl-1,3-diazinane-4,6-dione",
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    },
    {
      "@value": "5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione",
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    {
      "@value": "5-Ethyl-5-phenylhexahydropyrimidine-4,6-dione",
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    },
    {
      "@value": "5-Ethyldihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione",
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    },
    {
      "@value": "5-Ethylhexahydro-5-phenylpyrimidine-4,6-dione",
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    {
      "@value": "5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione",
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      }
    },
    {
      "@value": "Hexamidine",
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    },
    {
      "@value": "Hexamidine (antiepileptic)",
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        ],
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    },
    {
      "@value": "Hexamydin",
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    },
    {
      "@value": "Lepimidin",
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      }
    },
    {
      "@value": "Liskantin",
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    },
    {
      "@value": "MeSH ID: D011324",
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      }
    },
    {
      "@value": "Milepsin",
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        ],
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      }
    },
    {
      "@value": "Misodine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Misolyne",
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      }
    },
    {
      "@value": "Mizodin",
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      }
    },
    {
      "@value": "Mizolin",
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    },
    {
      "@value": "Mylepsin",
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        ],
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      }
    },
    {
      "@value": "Mysedon",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mysoline",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=125-33-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neurosyn",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=125-33-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Primaclone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=125-33-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Primacone",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=125-33-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Primakton",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=125-33-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Primidon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "primidona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "primidonum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_8412"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pyrimidone Medi-pets",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Resimatil",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sertan",
      "@language": "en",
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  ]
}

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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

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