Consensus flow list

Identity

Type
Molecular complex
CAS
144740-54-5
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Flupyrsulfuron-methyl Sodium

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NCHPMVGTNJBUGS-UHFFFAOYSA-N, XVPAYLVQXRJFBG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);
IUPAC name chemrof:IUPAC_name 3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester, monosodium salt
Molecular formula chemrof:molecular_formula C15H14F3N5NaO7S, C15H14F3N5O7S.HNa, C15H15F3N5NaO7S
SMILES string chemrof:smiles_string COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[Na]

Known URLs

5

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=144740-54-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82014 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18855 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18855 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53297412 enrich_references.pubchem_compound

Elementary flows

14
Flow Context Source Unit CFs
cd199d80-5f5f-4944-a5ad-e13db59c7ca6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5fac4c2a-b98a-456d-9c80-0db7f436561b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
97216684-3617-4c0b-83a5-aac77befca41 Environmental → Air → Indoor EF 3.1 kg 4
74761e70-0318-4600-b19a-7a93317ff287 Environmental → Air → Long-term EF 3.1 kg 0
b1b28f10-81a4-4a5d-9dc1-aa9ef4945905 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6203c291-3122-4657-b598-3834e3322639 Environmental → Air → Unknown EF 3.1 kg 4
bc79942f-dc4d-4c83-a58c-d9774c508802 Environmental → Ground → Agricultural EF 3.1 kg 4
e1f7aa50-145b-4782-85df-1398b5916092 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1901a638540cc5b61f3ee6148b3bb4ec6940cdc5 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0e9d109d-1398-4175-a662-396979c805b2 Environmental → Ground → Unknown EF 3.1 kg 4
de5ade40-04c0-4b29-8dae-b64cf2b071ef Environmental → Water → Long-term EF 3.1 kg 0
77343907-480e-4cbb-9b9e-222c341278e8 Environmental → Water → Ocean EF 3.1 kg 4
451b6972-8ddf-4b7d-864d-fc72c4100dd1 Environmental → Water → Surface water EF 3.1 kg 4
ac1158d9-1fe3-4597-8293-cad3ba76cfad Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-75ee258742104690",
  "prefLabel": [
    {
      "@value": "Flupyrsulfuron-methyl 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": "3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:144740-54-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=144740-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:144740-54-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=144740-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DPX-KE 459",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=144740-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Flupyrsulfuron-methyl sodium salt",
      "@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=144740-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium flupyrsulfuron-methyl",
      "@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=144740-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H14F3N5NaO7S",
        "C15H14F3N5O7S.HNa",
        "C15H15F3N5NaO7S"
      ],
      "attested_by": {
        "C15H14F3N5O7S.HNa": [
          "enrich_references.chebi_semantic"
        ],
        "C15H14F3N5NaO7S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C15H15F3N5NaO7S": [
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[NaH]"
          ]
        },
        {
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[Na]"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[Na]"
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        }
      ],
      "attested_by": {
        "COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[Na]": [
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        ]
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[Na]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NCHPMVGTNJBUGS-UHFFFAOYSA-N",
        "XVPAYLVQXRJFBG-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "NCHPMVGTNJBUGS-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic"
        ],
        "XVPAYLVQXRJFBG-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester, monosodium salt"
      ],
      "provenance": {
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      },
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  "references": [
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  "@type": [
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  ]
}

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