Coumatetralyl
fo-b42b0224d5478a4a
Identity
- Type
- Neutral molecule
- CAS
- 5836-29-3
- EC
- 227-424-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
12- 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-
- 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarin
- 3-(α-Tetralinyl)-4-hydroxycoumarin
- 3-(α-Tetralyl)-4-Hydroxycoumarin
- 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one
- 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin
- Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-
- Endrocide
- Murisan A
- Racumin
- Racumin 57
- Rodentin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ULSLJYXHZDTLQK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2 |
| IUPAC name chemrof:IUPAC_name | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)- |
| Molecular formula chemrof:molecular_formula | C19H16O3 |
| Molecular mass chemrof:molecular_mass | 292.334 |
| Monoisotopic mass chemrof:monoisotopic_mass | 292.10994, 292.109944 |
| SMILES string chemrof:smiles_string | O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21 |
Known URLs
15Where 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=5836-29-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80742 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.024.931 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8041799 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184636 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NWK4HW86A8 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250496 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.723K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C16806 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C16806 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:182 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54678504 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3027 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q415772 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Coumatetralyl | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ffb24f52-c793-4cbb-96ed-dfd00fc55084 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f17e73c4-7786-49f3-afab-245b8a4c3f75 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0abb66dc-702d-4d7f-9a66-d9e128abe1b5 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 96a107d8-dcde-4da8-b0e2-58282330cdbd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 93edd172-2b01-4064-9c3e-12c44e66249a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3f972c88-e54b-4644-91c5-950eede06237 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5959e759-5bd0-4f90-9214-33f49338c681 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 06203894-7f71-4e7e-9351-e87cec4d5315 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 546453e9-59a5-4ba9-a260-e2bdc1e89d4f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f48e26ce-4ea7-4c63-bd2a-2093075dcec9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9f58b2ad-60d8-41e0-9f63-270d52c1d2d4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 9a526372-2504-4d79-a1d1-7242f4404bad | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 503f6920-aa39-42f7-aef0-bdf2a694237a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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