Mandestrobin
fo-270c296d13389892
Identity
- Type
- Neutral molecule
- CAS
- 173662-97-0
- EC
- 694-980-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
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
11- (+-)-mandestrobin
- (2s)-2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-methoxy-n-methylacetamide
- (RS)-2-methoxy-N-methyl-2-[alpha-(2,5-xylyloxy)-o-tolyl]acetamide
- (RS)-mandestrobin
- 2-[(2,5-dimethylphenoxy)methyl]-alpha-methoxy-N-methylbenzeneacetamide
- 2-[(2,5-Dimethylphenoxy)methyl]-α-methoxy-N-methylbenzeneacetamide
- 2-[2-(2,5-Dimethylphenoxymethyl)phenyl]-2-methoxy-N-methylacetamide
- Benzeneacetamide, 2-[(2,5-dimethylphenoxy)methyl]-α-methoxy-N-methyl-
- rac-2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide
- rac-mandestrobin
- racemic mandestrobin
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PDPWCKVFIFAQIQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H23NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21) |
| IUPAC name chemrof:IUPAC_name | (RS)-2-methoxy-N-methyl-2-[alpha-(2,5-xylyloxy)-o-tolyl]acetamide |
| Molecular formula chemrof:molecular_formula | C19H23NO3 |
| Molecular mass chemrof:molecular_mass | 313.397 |
| Monoisotopic mass chemrof:monoisotopic_mass | 313.167794 |
| SMILES string chemrof:smiles_string | CNC(=O)C(OC)c1ccccc1COc1cc(C)ccc1C |
Known URLs
12Where 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=173662-97-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83205 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83208 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.223.296 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20894968 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SXB20U6Z56 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.733.290B | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144270 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:mandestrobin | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10935908 | enrich_references.pubchem_compound |
| reaxys | reaxys:11342928 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27156687 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fdb8f9dc-20e7-4a06-9fc1-37eb253202af | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| bdaa0187-c991-4269-9892-bb0b35fdd24c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| cf6c6b39-2d6d-4d0f-b9cf-28603422a943 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 19517d55-50a3-4bb8-a089-d13fddeb1fb6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a116d19e-47e1-40de-9fad-203fca8d9508 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0cd729a6-2721-49eb-9fa4-5a187e94ed88 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e889bf93-19ce-44b4-860a-2c142f71a69b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2eb9d136-3475-42ef-abec-d255b04abee2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8194aeec2d309c9f480deb0ff2356c2f6111158b | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fc411fa6-ae00-4509-a7b3-1b0ba6761fb9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 6a85a1cf-9b08-499f-a970-648f7f95ab94 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 249dec3d-ada7-44e2-9f43-887eac2b0d15 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 02d39b67-e7e4-474c-acb6-7a7e0daa41ee | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2cc817ac-e394-4368-801d-14e56df9d63d | 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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"@value": "A racemate composed of equimolar amounts of (R)- and (S)-mandestrobin. A strobilurin fungicide for use on cereal crops.",
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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