Brightway Flows 1.0
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Trimethadione

fo-ccd6d7b40e31a134

Identity

Type
Neutral molecule
CAS
127-48-0
EC
204-845-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Trimethadione

Alternative labels

31

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IRYJRGCIQBGHIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
IUPAC name chemrof:IUPAC_name 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
Molecular formula chemrof:molecular_formula C6H9NO3
Molecular mass chemrof:molecular_mass 143.142
Monoisotopic mass chemrof:monoisotopic_mass 143.05824, 143.058243
SMILES string chemrof:smiles_string CN1C(=O)OC(C)(C)C1=O

Known URLs

48

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=127-48-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9727 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.406 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021396 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00347 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00347 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2751 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2751 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15799 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=169503 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759152 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL695 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R7GV3H6FQ4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014491 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.519D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00392 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00392 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5345 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42723 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47772 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164744924 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/A6DDGVKB6KUH enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL695 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5576 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10634315 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11057156 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11722678 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13590839 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13649111 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15282739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15653505 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16171802 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18248662 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18862627 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18876072 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21638752 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2210093 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23017458 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23321016 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30605901 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7653500 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8791774 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8865369 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9375358 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9827046 enrich_references.chebi_xrefs
reaxys reaxys:121627 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q827916 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Trimethadione enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
b3c84953-25d7-4e50-b680-4eda21497b89 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
5b89aac1-8195-4859-8b53-046f0a5fd235 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
65a0a54a-0808-46ec-a6e8-3d87942197c1 Environmental → Air → Indoor EF 3.1 kg 0
b6e33af6-d27e-4d4f-a68b-8a9276c3a3ca Environmental → Air → Long-term EF 3.1 kg 0
7cbaa58f-aa80-40a7-a4c5-2613aa2df932 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
38ad3262-9ced-4173-a7b9-36a1dbe4e404 Environmental → Air → Unknown EF 3.1 kg 0
6f4cadf5-0a99-4259-b0ab-c33266337673 Environmental → Ground → Agricultural EF 3.1 kg 0
dfa5ffbe-1509-457e-9803-d2980f9e98ae Environmental → Ground → Non-agricultural EF 3.1 kg 0
98b1fe51-702e-4469-a6a0-192d825d04d5 Environmental → Ground → Unknown EF 3.1 kg 0
4bc95602-b94a-4aff-b440-8e996f378e4e Environmental → Water → Long-term EF 3.1 kg 0
85b29830-8d15-488f-ab53-d2ca6216353a Environmental → Water → Ocean EF 3.1 kg 0
73fd171d-3467-400d-886e-dbf4a3fc9c61 Environmental → Water → Surface water EF 3.1 kg 0
53dc769e-e3a1-4202-8285-1b11f811f94c Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ccd6d7b40e31a134",
  "prefLabel": [
    {
      "@value": "Trimethadione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Oxazolidinedione, 3,5,5-trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3,5-Trimethyl-2,4-diketooxazolidine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5,5-trimethyl-1,3-oxazolidine-2,4-dione",
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      }
    },
    {
      "@value": "3,5,5-trimethyl-2,4-oxazolidinedione",
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    {
      "@value": "Convenixa",
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    },
    {
      "@value": "Edion",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Epidione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Epixal",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D014293",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Minoaleviatin",
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      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Petidion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Petidon",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Petilep",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Petimalin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pitmal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ptimal",
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      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tridion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:127-48-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tridione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tridione Dulcet",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tridone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimedal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:127-48-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "trimetadiona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_9727"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "trimetadione",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trimethadion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "trimethadionum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trimethin",
      "@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=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimetin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:127-48-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trioxanona",
      "@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=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Troxidone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=127-48-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H9NO3"
      ],
      "attested_by": {
        "C6H9NO3": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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