Difenacoum
fo-a19c44773fe99c3a
Identity
- Type
- Neutral molecule
- CAS
- 56073-07-5
- EC
- 259-978-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
6- 2H-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
- 3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
- 3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin
- Diphenacoum
- Neosorexa
- Ratak
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FVQITOLOYMWVFU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2 |
| IUPAC name chemrof:IUPAC_name | 3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin |
| Molecular formula chemrof:molecular_formula | C31H24O3 |
| Molecular mass chemrof:molecular_mass | 444.53 |
| Monoisotopic mass chemrof:monoisotopic_mass | 444.17254, 444.172545 |
| SMILES string chemrof:smiles_string | O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21 |
Known URLs
14Where 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=56073-07-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80743 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.054.508 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2058128 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5416849 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SBA3K9U26B | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251254 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.112K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C16807 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C16807 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:229 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54676884 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q424775 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Difenacoum | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3b1bfc63-0fa1-4795-a8f9-9f2d9d5fce07 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0529aa68-6af0-460e-85c1-608e80246052 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 74eb446a-52ed-46cf-b5ca-5baf55b26d66 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cbc30e9e-5bc3-4fc0-aec7-314dbfe80dca | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 551cd76c-8f41-4392-953a-be79cd788e0f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 621b9147-cfbe-40c5-81c4-f12ba48f296c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 955f2e1f-9f59-42e8-a440-18a4f3815b4d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d35d250-98fe-4dbd-bcbc-4dbbbc67935c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ae10cf5a0bb62b547f3d32a9bacfe13adad77f51 | Environmental → Ground → Silvicultural | agribalyse algorithm addition | kg | 0 |
| f2a7982b-45bc-4faf-b0c0-cf12e4a310c0 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| af272c86-f309-4928-8dba-1f6888ca66e8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e336afb1-e844-479d-837b-e05053533261 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 176f2efa840dcdd867e4284f08269805fad81cf4 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 1a0e8b28-2de6-429b-aad0-92b64ce4b0e2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8c08fc36-f8bd-469f-b713-e675649e50e4 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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