Brightway Flows 1.0
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Cyprodinil

fo-e29c1ae67b701852

Identity

Type
Neutral molecule
CAS
121552-61-2
EC
601-785-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cyprodinil

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HAORKNGNJCEJBX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
IUPAC name chemrof:IUPAC_name 2-Anilino-4-cyclopropyl-6-methylpyrimidine
Molecular formula chemrof:molecular_formula C14H15N3
Molecular mass chemrof:molecular_mass 225.295
Monoisotopic mass chemrof:monoisotopic_mass 225.126597, 225.1266
SMILES string chemrof:smiles_string Cc1cc(C2CC2)nc(Nc2ccccc2)n1

Known URLs

27

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:IND21380293 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=121552-61-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4045 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.179 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1032359 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL521027 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/42P6T6OFWZ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034853 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J682.437D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10914 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10914 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46715 enrich_references.pubchem_identifier_url
patent patent:EP1023838 enrich_references.chebi_xrefs
patent patent:US2011021580 enrich_references.chebi_xrefs
pesticides pesticides:cyprodinil enrich_references.chebi_xrefs
ppdb ppdb:199 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86367 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23073993 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23228475 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23436777 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23799251 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24598029 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24746069 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24809493 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24901957 enrich_references.chebi_xrefs
reaxys reaxys:7813601 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3008902 enrich_references.pubchem_identifier_url

Elementary flows

16
Flow Context Source Unit CFs
64b1ce5e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d12-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
305be591-d783-4f00-acf4-5ba9a7ac73bd Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d11-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8d13-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d10-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9410-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-acb3-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0332d4af60bd0e8711ce40c607c3e349491f7dc0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9411-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9413-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-acb4-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
9e7463124109188294c31bd6aa9fa9adc046d266 Environmental → Water → River agribalyse algorithm addition kg 0
08a91e70-3ddc-11dd-9412-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
46e3e2710699e99bedb1a5e57660a38b0993f530 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9414-0050c2490048 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-e29c1ae67b701852",
  "prefLabel": [
    {
      "@value": "Cyprodinil",
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    },
    {
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