Isoxaben
fo-dc9a2429bdc95456
Identity
- Type
- Neutral molecule
- CAS
- 82558-50-7
- EC
- 407-190-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
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 |
|---|---|---|
| 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
9- 2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide
- 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
- Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
- Benzamizole
- Flexidor
- Gallery
- N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide
- N-[3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide
- X-Pand
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PMHURSZHKKJGBM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) |
| IUPAC name chemrof:IUPAC_name | 2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide |
| Molecular formula chemrof:molecular_formula | C18H24N2O4 |
| Molecular mass chemrof:molecular_mass | 332.4 |
| Monoisotopic mass chemrof:monoisotopic_mass | 332.173607, 332.17361 |
| SMILES string chemrof:smiles_string | CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 |
Known URLs
24Where 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:IND44386841 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=82558-50-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63956 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.871 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.119.471 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8024159 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2142789 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/101V41EEA4 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0253709 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.623G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18504 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18504 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=63070 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:411 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/73672 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18413279 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18485800 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19103453 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19198845 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19269997 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21421394 | enrich_references.chebi_xrefs |
| reaxys | reaxys:6612136 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2677285 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isoxaben | enrich_references.pubchem_identifier_url |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4dc5b0-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d14-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3b8b73ae-98c8-4a7b-9a36-452365db2d0a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d13-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9d15-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d12-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d10-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d19-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d11994e3f61dff5882e11bcbd8806e799b740ce5 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9d11-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9d17-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9d1a-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6345217c5cdf521fb4095aac1cc66f23d1a80129 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9d16-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 67b99f776e315449f9db56a4a4d6bbf81b5359f7 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9d18-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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}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