Dimefuron
fo-08b9d0309ae5d343
Identity
- Type
- Neutral molecule
- CAS
- 34205-21-5
- EC
- 251-879-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 20 across every transformer
Structure
Alternative labels
5- 3-[2-Chloro-4-(3,3-dimethylureido)phenyl]-5-tert-butyl-1,3,4-oxadiazolinone
- N′-[3-Chloro-4-[5-(1,1-dimethylethyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phenyl]-N,N-dimethylurea
- Pradone TS
- Urea, 3-[4-(2-tert-butyl-5-oxo-Δ2-1,3,4-oxadiazolin-4-yl)-3-chlorophenyl]-1,1-dimethyl-
- Urea, N′-[3-chloro-4-[5-(1,1-dimethylethyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phenyl]-N,N-dimethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DHWRNDJOGMTCPB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21) |
| IUPAC name chemrof:IUPAC_name | 3-[2-Chloro-4-(3,3-dimethylureido)phenyl]-5-tert-butyl-1,3,4-oxadiazolinone |
| Molecular formula chemrof:molecular_formula | C15H19ClN4O3 |
| Molecular mass chemrof:molecular_mass | 338.795 |
| Monoisotopic mass chemrof:monoisotopic_mass | 338.114568 |
| SMILES string chemrof:smiles_string | CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1 |
Known URLs
13Where 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=34205-21-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81957 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.148 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6058059 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1087751 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/39TXE38663 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.108A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18783 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18783 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=78522 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:237 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91612 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q3028190 | enrich_references.pubchem_identifier_url |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fe886aaa55d6637dfb2b30291300b51aeb556d36 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| fdbc5f6aecb407731b6dbbc5830ef5bd43af0429 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| e136d160-8938-4169-871f-7cf4dd8cdc27 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 217756188a22077ad7017d476e67cf2022641e7c | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 993854d16b80859306ebc0fe2485d87e33305dbc | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| efc0ebd21a8807c117cc67c265e033a6d6e2b117 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| c026f8c05c1f5fd1a9e4433e7f1d4aaf17fe0a08 | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (20 changes)
Full record
Flow object JSON
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"@value": [
"251-879-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=251-879-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works