Consensus flow list

Identity

Type
NeutralMolecule
CAS
29232-93-7
EC
249-528-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pirimiphos-methyl

What it is used for

5

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHOQHJPRIBSPCY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
IUPAC name chemrof:IUPAC_name O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate
Molecular formula chemrof:molecular_formula C11H20N3O3PS
Molecular mass chemrof:molecular_mass 305.34
Monoisotopic mass chemrof:monoisotopic_mass 305.096299, 305.0963
SMILES string chemrof:smiles_string CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1

Known URLs

21

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=29232-93-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38843 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.011 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0024266 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1886047 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2VQZ4PK548 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256600 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.487H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18403 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18403 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56028 enrich_references.pubchem_identifier_url
ppdb ppdb:532 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/34526 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23343221 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24476070 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24685163 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24711991 enrich_references.chebi_xrefs
reaxys reaxys:755726 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q415867 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pirimiphos-methyl enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
3e4d0274-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9be1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7b3271d7-ee77-4c29-8397-563befc01ebd Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9be0-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9be2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bdf-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9bdd-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-99c9-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2e3b3ad4d87872f49f212efaff7af4bad4f983bc Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9bde-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9be4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-99ca-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9be3-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9be5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-db12a36a7882c053",
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    {
      "@value": "Pirimiphos-methyl",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate",
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      }
    },
    {
      "@value": "2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate",
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    },
    {
      "@value": "Actellic",
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      "@value": "Actellic 25EC",
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      "@value": "Actellic 50",
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    },
    {
      "@value": "Actellic 50E",
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    {
      "@value": "Actellic 50EC",
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    },
    {
      "@value": "Actellic Polvo",
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    },
    {
      "@value": "Actellic Powder",
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    },
    {
      "@value": "Blex",
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    },
    {
      "@value": "Dominator",
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      }
    },
    {
      "@value": "ENT 27699Gc",
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        ],
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      }
    },
    {
      "@value": "Methyl pyrimiphos",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylpirimiphos",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylpyrimifos",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_38843"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Orafon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pirimifosmethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pirimiphos M",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Pirimiphos Me",
      "@language": "en",
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      }
    },
    {
      "@value": "Pirimiphos methyl",
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    },
    {
      "@value": "Pirimiphosmethyl",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Piritione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Plant Protection PP 511",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Pyrimidine phosphate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Pyrimiphos methyl",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Rotator",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Silosan",
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      }
    },
    {
      "@value": "VUCHT 388",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H20N3O3PS"
      ],
      "attested_by": {
        "C11H20N3O3PS": [
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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