Bucetin
fo-ffa261f35cb78951
Identity
- Type
- Neutral molecule
- CAS
- 1083-57-4
- EC
- 214-109-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
10- (+/-)-Bucetin
- (±)-Bucetin
- 3-hydroxy-p-butyrophenetidide
- betadid
- Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-
- N-(4-Ethoxyphenyl)-3-hydroxybutanamide
- N-(β-Hydroxybutyryl)-p-phenetidine
- p-Butyrophenetidide, 3-hydroxy-
- p-Ethoxy-N-(β-hydroxybutyryl)aniline
- β-Hydroxybutyric acid p-phenetidide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LIAWQASKBFCRNR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15) |
| IUPAC name chemrof:IUPAC_name | N-(4-Ethoxyphenyl)-3-hydroxybutanamide |
| Molecular formula chemrof:molecular_formula | C12H17NO3 |
| Molecular mass chemrof:molecular_mass | 223.272 |
| Monoisotopic mass chemrof:monoisotopic_mass | 223.12084, 223.120843 |
| SMILES string chemrof:smiles_string | CCOc1ccc(NC(=O)CC(C)O)cc1 |
Known URLs
22Where 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=1083-57-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31311 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.012.827 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6020721 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB13278 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:413 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/413 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=320045 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759243 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1697856 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1Z23WB033I | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6M7CVQ8PF8 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PLF54F8S2F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.245A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D01116 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D01116 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154104 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C72112 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1697856 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14130 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q4982520 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bucetin | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 172b2802-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8c89-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cc95fc43-13bd-4b08-95de-4d8b05fbda3e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8c88-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8c8a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b1ca-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b1c8-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8c8e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b1c9-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8c8c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9d70-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8c8b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 85ef6fb45ef0a6b0c8ed1d0235331c14645388fc | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-8c8d-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