Consensus flow list

Deltamethrin

fo-822bd9fba35ccd07

Identity

Type
NeutralMolecule
CAS
52918-63-5
EC
258-256-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Deltamethrin

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

4

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
antifeedant CHEBI:22583 A substance that prevents pests from feeding. 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

57

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OWZREIFADZCYQD-NSHGMRRFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br
IUPAC name chemrof:IUPAC_name (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C22H19Br2NO3
Molecular mass chemrof:molecular_mass 505.206
Monoisotopic mass chemrof:monoisotopic_mass 502.973168, 502.97317
SMILES string chemrof:smiles_string CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Known URLs

51

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=52918-63-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4388 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.943 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0247 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020381 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB13600 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB13600 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4378 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4378 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1593566 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2JTS8R821G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041866 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.082J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10985 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D07785 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10985 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07785 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49588 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83658 enrich_references.pubchem_identifier_url
pesticides pesticides:deltamethrin enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1593566 enrich_references.pubchem_identifier_url
ppdb ppdb:205 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/40585 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3349 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12049274 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12706396 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14563173 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15088704 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16169030 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16310970 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17507155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20839770 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21324359 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21771693 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32249328 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32485514 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32596996 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32651933 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32757256 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32799158 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32876326 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32914306 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32976580 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33001569 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33035892 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33046642 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33069802 enrich_references.chebi_xrefs
reaxys reaxys:6746312 enrich_references.chebi_xrefs
vsdb vsdb:205 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q422257 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Deltamethrin enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
3e4d5099-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-938b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4eb61332-4df7-41be-92fe-5ca6631c2520 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-938a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-938c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9389-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-92a1-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9390-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
49480dc73673a4402511df5a49f501698688ea29 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-92a2-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-938e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9391-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
006708d845fbf184e6dc09f9db6c02b89d93144b Environmental → Water → River bafu algorithm addition kg 0
4d9a8790-3ddd-11dd-938d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
ed4c21ad1b86cd446526d321b9b6f5b4de8f65f3 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-938f-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-822bd9fba35ccd07",
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  "altLabel": [
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    },
    {
      "@value": "(S)-alpha-cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate",
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    },
    {
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      "@value": "Ballistic",
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      "@value": "Butox",
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    },
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      "@value": "Cislin",
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      }
    },
    {
      "@value": "Crackdown",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cropro D-Sect",
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-",
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      }
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    },
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      "@value": "decamethrin",
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    },
    {
      "@value": "decamethrine",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Decis",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Decis 0.5ULV",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Decis 1.5ULV",
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      }
    },
    {
      "@value": "Decis 2.5EC",
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    },
    {
      "@value": "Decis 2.5ULV",
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    },
    {
      "@value": "Decis Expert",
      "@language": "en",
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    },
    {
      "@value": "Decis Extra",
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    },
    {
      "@value": "Decis Flow",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Decis flow 2.5",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Decis Jet",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Decis Options",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Decis Super",
      "@language": "en",
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      "provenance": {
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}

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