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Flucarbazone-sodium

Flow Object IDfo-39cbdb7ea5b67a48
TypeConsensus
prefLabel
Label Language
Flucarbazone-sodium en
Alt Labels
Label Language Provenance
BAY-MKH 6562 en —
MKH 6562 en —
flucarbazone-Na en —
sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide en —
sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide en —
1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt en —
1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1) en —
Everest en —
SJO 0498 en —
Definitions
Language Value Provenance
en An organic sodium salt resulting from the formal reaction of the sulfonamide amino group of flucarbazone with 1 mol eq. of sodium hydride. An acetolactate synthase inhibitor, it is used as a herbicide to control grass weeds in cereal crops. Not approved for use within the European Union.
CAS Numbers181274-17-9
Changes Applied4

Properties

Predicate Value
Formal charge 0
InChIKey UOUXAYAIONPXDH-UHFFFAOYSA-M
InChI InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1
IUPAC name sodium (3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl-[2-(trifluoromethyloxy)phenyl]sulfonyl-azanide, sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide, sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide, sodium (5-keto-3-methoxy-4-methyl-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide, sodium [(3-methoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]-[2-(trifluoromethoxy)phenyl]sulfonylazanide
Molecular formula C12H10F3N4NaO6S, C12H10F3N4O6S.Na
Molecular mass 418.285
Monoisotopic mass 418.01708
SMILES CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+], COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
221fd59f… ecoinvent algorithm addition kg Environmental → Air → High stack, >150 meters 0 0
4e57adca… EF 3.1 kg Environmental → Ground → Agricultural 0 4
8c3a24c4… ecoinvent algorithm addition kg Environmental → Water 0 0
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
4e57adca… prefLabel [{"@value":"Flucarbazone Sodium Salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"Flucarbazone-sodium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:181274-17-9"],"prov:wasDerivedFrom":"Common Chemistry / ChEBI primary name agreement"}}] cas=181274-17-9; cc_chebi_agreed_name='Flucarbazone-sodium'; object_uuid=fo-39cbdb7ea5b67a48
4e57adca… altLabel [{"@value":"BAY-MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:BAY-MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"flucarbazone-Na","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:flucarbazone-Na","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"BAY-MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:BAY-MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"flucarbazone-Na","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:flucarbazone-Na","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Flucarbazone Sodium Salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original name retained as altLabel"}}] cas=181274-17-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-39cbdb7ea5b67a48
4e57adca… altLabel [{"@value":"BAY-MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:BAY-MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"flucarbazone-Na","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:flucarbazone-Na","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Flucarbazone Sodium Salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original name retained as altLabel"}}] [{"@value":"BAY-MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:BAY-MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"MKH 6562","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:MKH 6562","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"flucarbazone-Na","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:flucarbazone-Na","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide","http://purl.obolibrary.org/obo/CHEBI_82010","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:181274-17-9","https://commonchemistry.cas.org/detail?cas_rn=181274-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:181274-17-9","https://commonchemistry.cas.org/detail?cas_rn=181274-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Everest","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:181274-17-9","https://commonchemistry.cas.org/detail?cas_rn=181274-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"SJO 0498","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:181274-17-9","https://commonchemistry.cas.org/detail?cas_rn=181274-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; cas=181274-17-9; added Common Chemistry CAS names as altLabel: 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt, 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1), Everest, SJO 0498; object_uuid=fo-39cbdb7ea5b67a48
4e57adca… cas_match_labels — {"181274-17-9":"exactMatch"} group_key=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'181274-17-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39cbdb7ea5b67a48: {'181274-17-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-39cbdb7ea5b67a48",
  "prefLabel": [
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      "@value": "Flucarbazone-sodium",
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  ],
  "altLabel": [
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      }
    },
    {
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    },
    {
      "@value": "flucarbazone-Na",
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    },
    {
      "@value": "sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide",
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      "@language": "en",
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    },
    {
      "@value": "1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)",
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    {
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  ],
  "properties": {
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      "@value": [
        "C12H10F3N4NaO6S",
        "C12H10F3N4O6S.Na"
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      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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        "COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]"
      ],
      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1"
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UOUXAYAIONPXDH-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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