Consensus flow list

Identity

Type
NeutralMolecule
CAS
119168-77-3
EC
601-585-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tebufenpyrad

What it is used for

2

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
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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZZYSLNWGKKDOML-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
IUPAC name chemrof:IUPAC_name 1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-
Molecular formula chemrof:molecular_formula C18H24ClN3O
Molecular mass chemrof:molecular_mass 333.863
Monoisotopic mass chemrof:monoisotopic_mass 333.16079
SMILES string chemrof:smiles_string CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl

Known URLs

16

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
beilstein beilstein:8636471 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=119168-77-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9422 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.745 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034223 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1897070 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IRU3P7ZB3F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258765 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J364.797H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11126 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11126 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53467 enrich_references.pubchem_identifier_url
ppdb ppdb:612 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86354 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q285594 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tebufenpyrad enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
8586d0e2-b149-4693-a349-ed30c090bf97 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
32d4678d-6148-48ce-b509-994865c82271 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b4e7d85b-d926-401b-96be-ddeea79ccf33 Environmental → Air → Indoor EF 3.1 kg 4
185484a3-f395-46ee-8930-a08f4b6f00e2 Environmental → Air → Long-term EF 3.1 kg 0
41ae210e-7ecc-42bc-a5fd-57c607af58a0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d7505f13-e79f-4f6f-8957-fc820ab340b0 Environmental → Air → Unknown EF 3.1 kg 4
c65836d6-446d-438c-a057-3b13396dd3a0 Environmental → Ground → Agricultural EF 3.1 kg 4
a7ef0102-76cf-4d8c-8b4c-af379b388e1e Environmental → Ground → Non-agricultural EF 3.1 kg 4
b2483834c59c604709b6600b165887034d3be0be Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
5b679656-e87b-4698-a711-7c2a037d0771 Environmental → Ground → Unknown EF 3.1 kg 4
cb34ffe3-1ffb-4ae2-a93b-5bcef3d34d59 Environmental → Water → Long-term EF 3.1 kg 0
370ce071-5459-4a9f-850d-f45d0c930b52 Environmental → Water → Ocean EF 3.1 kg 4
7640c123-f2f4-48f7-882b-588352f44a78 Environmental → Water → Surface water EF 3.1 kg 4
977b236e-23c4-4913-977c-6b30ae480b55 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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