Brightway Flows 1.0
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Topramezone

fo-ff18b585af045802

Identity

Type
Neutral molecule
CAS
210631-68-8
EC
606-699-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Topramezone

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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BPPVUXSMLBXYGG-UHFFFAOYSA-N, IYMLUHWAJFXAQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
IUPAC name chemrof:IUPAC_name [3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone
Molecular formula chemrof:molecular_formula C16H17N3O5S
SMILES string chemrof:smiles_string Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=NOCC1

Known URLs

18

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:IND44417816 enrich_references.chebi_xrefs
agr agr:IND601311618 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=210631-68-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131999 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034722 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2272076 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3145388 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W4934JAQ65 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.454.595D enrich_references.pubchem_identifier_url
patent patent:CA2691880 enrich_references.chebi_xrefs
pesticides pesticides:topramezone enrich_references.chebi_xrefs
ppdb ppdb:686 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11302979 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17340675 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21509485 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24086329 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26186714 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q1168918 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
088ade48-58e0-41b1-88d5-b08bea66f9c7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ebe4aab5-d782-4d70-aeec-64656dee3575 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
09c80b1a-4635-405e-be19-ba8115c4ee61 Environmental → Air → Indoor EF 3.1 kg 4
30925ce9-d2a6-4f86-9db2-078c806e1f57 Environmental → Air → Long-term EF 3.1 kg 0
8fdc83c5-d32b-45f1-8afa-d32dd0573a65 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1a617c4c-36e1-4bd0-9b4a-27e6d7bb80a3 Environmental → Air → Unknown EF 3.1 kg 4
7898b83b-e01d-45bb-ac18-589011e97f0c Environmental → Ground → Agricultural EF 3.1 kg 4
67acb75c-04eb-44b7-b4b9-89189e3c4ff8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
78ecc3f532ede1830c567642d6afb0da74b44877 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a8043927-9e77-4e8b-85ff-15a4e2a78b76 Environmental → Ground → Unknown EF 3.1 kg 4
21458312-5752-40b3-a504-20065b1b46ea Environmental → Water → Long-term EF 3.1 kg 0
dfd28757-9116-410d-baf1-f07d3d60aed4 Environmental → Water → Ocean EF 3.1 kg 4
f16721dd-1cf3-45b3-bea7-5931288deb7c Environmental → Water → Surface water EF 3.1 kg 4
e13197d0-f2fd-45be-82ed-75e552685b12 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 
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}

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