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Nuarimol

fo-3ab3b6f0c83879ce

Identity

Type
Neutral molecule
CAS
63284-71-9
EC
264-071-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Nuarimol

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SAPGTCDSBGMXCD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
IUPAC name chemrof:IUPAC_name (RS)-2-chloro-4'-fluoro-alpha-(pyrimidin-5-yl)benzhydryl alcohol
Molecular formula chemrof:molecular_formula C17H12ClFN2O
Molecular mass chemrof:molecular_mass 314.741, 314.747
Monoisotopic mass chemrof:monoisotopic_mass 314.062219, 314.06222
SMILES string chemrof:smiles_string OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl

Known URLs

12

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
agr agr:IND79082258 enrich_references.chebi_xrefs
agr agr:IND84094801 enrich_references.chebi_xrefs
agr agr:IND91056163 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=63284-71-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7645 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11185 enrich_references.chebi_xrefs
pesticides pesticides:nuarimol enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16248555 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18810736 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22955670 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7822682 enrich_references.chebi_xrefs
reaxys reaxys:6223667 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
a5b8c222-8812-4d64-9d4b-69206d6fd01b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9535ccb5-6b40-41a0-ac19-83e8671c2794 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d4912f14-8d54-47c0-88e0-715fb8d766a3 Environmental → Air → Indoor EF 3.1 kg 2
7f2341da-f731-4b89-b53d-cee4c4372150 Environmental → Air → Long-term EF 3.1 kg 0
d748e7ef-3366-42ad-bd99-077856103c19 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
77c124f7-4f24-4a89-9030-e01550a0a764 Environmental → Air → Unknown EF 3.1 kg 2
9ce027fe-358b-4997-ab05-610d5433f912 Environmental → Ground → Agricultural EF 3.1 kg 2
8567ee43-4b00-45a7-9c86-0ad25ef082dd Environmental → Ground → Non-agricultural EF 3.1 kg 2
3ad537e20a01e0d008fab41c3c974d290235e9fa Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
1b1c4e69-9fe8-4f75-8bb0-d7b15b7ef828 Environmental → Ground → Unknown EF 3.1 kg 2
599d3e5d-d8da-4905-99b4-8b097f606957 Environmental → Water → Long-term EF 3.1 kg 0
b055015b-5cdf-4d87-a816-5cc48f65bf72 Environmental → Water → Ocean EF 3.1 kg 2
27aa2791-c4d9-4d17-8a17-599a63bf3f6d Environmental → Water → Surface water EF 3.1 kg 2
ecfc318f-6a09-40cc-870d-c126ec2a3c31 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-3ab3b6f0c83879ce",
  "prefLabel": [
    {
      "@value": "Nuarimol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63284-71-9",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+-)-nuarimol",
      "@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_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-2-chloro-4'-fluoro-alpha-(pyrimidin-5-yl)benzhydryl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Nuarimol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=63284-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-(2-chloro-4'-fluorobenzhydryl)-4-hydroxypyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "5-Pyrimidinemethanol, α-(2-chlorophenyl)-α-(4-fluorophenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "alpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-5-pyrimidinemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caswell No. 419G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Guantlet",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Murox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-(2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-(R)-(2-chlorophenyl)(4-fluorophenyl)(pyrimidin-5-yl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-nuarimol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tridal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimidal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trimidal EC",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimifruit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trimifruit SC",
      "@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=63284-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triminol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7645"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "α-(2-Chlorophenyl)-α-(4-fluorophenyl)-5-pyrimidinemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H12ClFN2O"
      ],
      "attested_by": {
        "C17H12ClFN2O": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
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        },
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          "prov:hadPrimarySource": [
            "OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        314.741,
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      ],
      "attested_by": {
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        ],
        "314.747": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      "attested_by": {
        "0": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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        ]
      }
    },
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      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "SAPGTCDSBGMXCD-UHFFFAOYSA-N"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "SAPGTCDSBGMXCD-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "agr:IND79082258",
      "provenance": {
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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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