Consensus flow list

Fenamidone

fo-bd76389673034f80

Identity

Type
NeutralMolecule
CAS
161326-34-7
EC
605-252-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Fenamidone

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
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 LMVPQMGRYSRMIW-KRWDZBQOSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CSC1=N[C@@](C)(c2ccccc2)C(=O)N1Nc1ccccc1
IUPAC name chemrof:IUPAC_name (5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one
Molecular formula chemrof:molecular_formula C17H17N3OS
Molecular mass chemrof:molecular_mass 311.41
Monoisotopic mass chemrof:monoisotopic_mass 311.10923, 311.109233
SMILES string chemrof:smiles_string CSC1=NC(C)(c2ccccc2)C(=O)N1Nc1ccccc1

Known URLs

20

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=161326-34-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83258 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.945 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034590 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232792 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DN24MG2Z5E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.067.642H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155627 enrich_references.pubchem_identifier_url
patent patent:US2010029776 enrich_references.chebi_xrefs
pesticides pesticides:fenamidone enrich_references.chebi_xrefs
ppdb ppdb:289 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10403199 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17763039 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21726147 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22102420 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22349284 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24041529 enrich_references.chebi_xrefs
reaxys reaxys:11336737 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5442966 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fenamidone enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
ee4ab4a8-e9bb-4f29-9686-723af998283f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1b5d48c4-713f-4186-92f0-126c2f580306 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
91e61019-bdc3-4ef5-98dd-132103c1c9ee Environmental → Air → Indoor EF 3.1 kg 4
4b25ac9d-ffba-4731-b284-3eb22998b697 Environmental → Air → Long-term EF 3.1 kg 0
e5640c02-49e0-4e98-9c06-3b729a579b39 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3641d8b6-606d-45b8-9fd5-14f3934408c7 Environmental → Air → Unknown EF 3.1 kg 4
106176de-d9c4-4377-9e4a-3b98f05bf165 Environmental → Ground → Agricultural EF 3.1 kg 4
5a7200d3-0a76-430c-a013-86edf06ede36 Environmental → Ground → Non-agricultural EF 3.1 kg 4
35356874b2b5928af75ce0a45b975ebd247892bb Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fb7d0038-dc43-49f3-86a9-25e78c5abd73 Environmental → Ground → Unknown EF 3.1 kg 4
76908d42-2b83-41d2-9bca-37816391f1c3 Environmental → Water → Long-term EF 3.1 kg 0
1ad5c5f4-83cd-40fb-8e68-c5ab1d0501a4 Environmental → Water → Ocean EF 3.1 kg 4
a73be981-c2d6-4617-8311-f1043bd13152 Environmental → Water → Surface water EF 3.1 kg 4
febacb90-540d-4a6f-ade4-199e6bd058ec 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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