Consensus flow list

Quizalofop-P-ethyl

fo-ad82ec335ae934a3

Identity

Type
NeutralMolecule
CAS
100646-51-3
EC
600-119-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
73 across every transformer

Structure

Structure diagram for Quizalofop-P-ethyl

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

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
herbicide CHEBI:24527 A substance used to destroy plant 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 OSUHJPCHFDQAIT-GFCCVEGCSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
IUPAC name chemrof:IUPAC_name ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
Molecular formula chemrof:molecular_formula C19H17ClN2O4
Molecular mass chemrof:molecular_mass 372.808
Monoisotopic mass chemrof:monoisotopic_mass 372.08768, 372.087685
SMILES string chemrof:smiles_string CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

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=100646-51-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137938 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034857 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3138620 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1U4923B12R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J646.232D enrich_references.pubchem_identifier_url
pesticides pesticides:derivatives/quizalofop-p-ethyl enrich_references.chebi_xrefs
ppdb ppdb:583 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1617113 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17090107 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17938739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24964043 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26139867 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26971169 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27987479 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28027504 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28027508 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28490371 enrich_references.chebi_xrefs
reaxys reaxys:13263419 enrich_references.chebi_xrefs
reaxys reaxys:9648298 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27252886 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
74ff3a7c-d6ed-401e-9ae7-87307d487776 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c894644f-2bad-4208-8f88-54e3dcf1af19 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2a13a25b-7339-44b0-aa67-dbecf4578284 Environmental → Air → Indoor EF 3.1 kg 4
e2cd0f4c-ecb0-4f8d-8e58-60b190cfb8fb Environmental → Air → Long-term EF 3.1 kg 0
e50c2e4c-4a87-4fad-86de-6692662f8f23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
088514ef-04ac-413b-a35c-61f63a7cae4d Environmental → Air → Unknown EF 3.1 kg 4
a8cd490d-6646-42e9-9b4a-e2094d7542e9 Environmental → Ground → Agricultural EF 3.1 kg 4
6017cda4-e448-450f-a74d-43dd58ff9f8c Environmental → Ground → Non-agricultural EF 3.1 kg 4
d53824fe8664e23b3dadaaa3a0d68e74d11b1940 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f9dd6430-178e-4392-b28b-b459ada91f3f Environmental → Ground → Unknown EF 3.1 kg 4
1889581f-e52d-437d-a8d9-8043f538d35c Environmental → Water → Long-term EF 3.1 kg 0
39777041-f1c0-4a10-933e-ff66ddca717d Environmental → Water → Ocean EF 3.1 kg 4
1e4019db-98f1-438e-9b91-cae56ddfe2cb Environmental → Water → Surface water EF 3.1 kg 4
0bcf460c-169f-41c7-ab19-12d8cd5f6f3c Environmental → Water → Unknown EF 3.1 kg 4
aae1e71a-4b97-45ca-965a-9555242c8b5f deprecated Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (73 changes)

Open the changes page

Full record

Flow object JSON 
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