Desmedipham
fo-b160e167f834fb05
Identity
- Type
- Neutral molecule
- CAS
- 13684-56-5
- EC
- 237-198-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
4
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 |
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| 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
13- 3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate
- 3-Ethoxycarbonylaminophenyl N-phenylcarbamate
- 3-Ethoxycarbonylaminophenyl-N-phenylcarbamate
- Betanex
- Carbamic acid, [3-[[(phenylamino)carbonyl]oxy]phenyl]-, ethyl ester
- Carbamic acid, N-[3-[[(phenylamino)carbonyl]oxy]phenyl]-, ethyl ester
- Carbanilic acid, m-hydroxy-, ethyl ester, carbanilate (ester)
- Destor
- DMP Stefes
- Ethyl 3'-phenylcarbamoyloxycarbanilate
- Ethyl m-hydroxycarbanilate carbanilate
- Ethyl N-[3-(N-phenylcarbamoyloxy)phenyl]carbamate
- Synbetan D
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WZJZMXBKUWKXTQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) |
| IUPAC name chemrof:IUPAC_name | 3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate |
| Molecular formula chemrof:molecular_formula | C16H16N2O4 |
| Molecular mass chemrof:molecular_mass | 300.314 |
| Monoisotopic mass chemrof:monoisotopic_mass | 300.111007, 300.11101 |
| SMILES string chemrof:smiles_string | CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 |
Known URLs
19Where 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=13684-56-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81733 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.033.802 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0034518 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16024 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C7V2TTX346 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251050 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.443C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18417 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18417 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:desmedipham | enrich_references.chebi_xrefs |
| ppdb | ppdb:207 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24743 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11601459 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21374783 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3412424 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2395716 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q3024527 | enrich_references.pubchem_identifier_url |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 29068994-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-9f10-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ca6c2743-e87c-4dd3-ba80-8147e8eccd73 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-9f0f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9f11-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e1c-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-ac44-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-af3d-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fed08220cd0038094a695f935965d676aa873bfd | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-ac45-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-af3b-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-af3e-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 29865a821bc7339a8e13856dc7ae6c89560d3565 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-ac46-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 74515bb98372d1206a5e661eec236cf5b4befb98 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-af3c-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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