Consensus flow list

Identity

Type
NeutralMolecule
CAS
1003318-67-9
EC
801-263-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oxathiapiprolin

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

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IAQLCKZJGNTRDO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3
IUPAC name chemrof:IUPAC_name rac-1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Molecular formula chemrof:molecular_formula C24H22F5N5O2S
Molecular mass chemrof:molecular_mass 539.521, 539.53
Monoisotopic mass chemrof:monoisotopic_mass 539.141437, 539.14144
SMILES string chemrof:smiles_string Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CC1

Known URLs

13

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=1003318-67-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83268 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83271 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.227.885 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30893604 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56498AIV8R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.150.249G enrich_references.pubchem_identifier_url
pesticides pesticides:oxathiapiprolin enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/56945145 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24440097 enrich_references.chebi_xrefs
reaxys reaxys:20731698 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27156718 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oxathiapiprolin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
449271f2-6592-45da-8d9a-f1f5c33b9ca1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f0227c2f-7394-4d93-a7a8-9dfca248aae8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ccd7f129-80a9-4d35-bd82-d16ebc6a5ea4 Environmental → Air → Indoor EF 3.1 kg 4
fb0bf5a8-5e3f-4681-8556-14667a46cf9e Environmental → Air → Long-term EF 3.1 kg 0
4f328cde-78f7-409c-a103-7f63684fa6c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2928108a-201b-49ae-902e-974bda314688 Environmental → Air → Unknown EF 3.1 kg 4
63b38c68-abc2-4fc3-8de9-371dbcc4d56a Environmental → Ground → Agricultural EF 3.1 kg 4
e6ee9d91-5b47-41e7-9cf6-e34eb81801ed Environmental → Ground → Non-agricultural EF 3.1 kg 4
0a6aaac6974357b02e68ca5f482246a54cc89941 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
c929f516-0cfb-44ed-8baf-30f652cb3bac Environmental → Ground → Unknown EF 3.1 kg 4
92bd8f0d-6550-4ab3-9d7f-6abf64697ffc Environmental → Water → Long-term EF 3.1 kg 0
bbd272f0-0f14-4114-8ed3-a8bb48d6f885 Environmental → Water → Ocean EF 3.1 kg 4
d6e3693f-bae1-4cdf-8f94-9e03e5c5ad55 Environmental → Water → Surface water EF 3.1 kg 4
0dddceaa-94a5-4cc5-975d-bce1907e38f7 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
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