Felbamate
fo-184c635c765361b0
Identity
- Type
- Neutral molecule
- CAS
- 25451-15-4
- EC
- 247-001-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
13- 1,3-Bis(carbamoyloxy)-2-phenylpropane
- 1,3-Propanediol, 2-phenyl-, 1,3-dicarbamate
- 1,3-Propanediol, 2-phenyl-, dicarbamate
- 2-phenyl-1,3-propanediol dicarbamate
- 2-phenylpropane-1,3-diyl Dicarbamate
- carbamic acid 2-phenyltrimethylene ester
- Carbamic acid 3-carbamoyloxy-2-phenyl-propyl ester
- Carbamic acid, 2-phenyltrimethylene ester
- felbamato
- felbamatum
- Felbamyl
- Felbatol
- Taloxa
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WKGXYQFOCVYPAC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15) |
| IUPAC name chemrof:IUPAC_name | 2-phenyl-1,3-propanediol dicarbamate |
| Molecular formula chemrof:molecular_formula | C11H14N2O4 |
| Molecular mass chemrof:molecular_mass | 238.243 |
| Monoisotopic mass chemrof:monoisotopic_mass | 238.095357, 238.09536 |
| SMILES string chemrof:smiles_string | NC(=O)OCC(COC(N)=O)c1ccccc1 |
Known URLs
34Where 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=25451-15-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4995 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.042.714 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9023041 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00949 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00949 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1140 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1140 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759866 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1094 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G66398VH | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X72RBB02N8 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015084 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.906J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07501 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00536 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07501 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00536 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-4232 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43208 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47530 | enrich_references.pubchem_identifier_url |
| patent | patent:US2884444 | enrich_references.chebi_xrefs |
| patent | patent:US4978680 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449590 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/T5XG6NK31BLB | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1094 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3331 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12825948 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12873507 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18311896 | enrich_references.chebi_xrefs |
| reaxys | reaxys:3345236 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/24812 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q421301 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Felbamate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6260a2bf-be36-4f2f-816b-b59c3e86a334 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 85504c83-a710-46fd-b4d9-9dc01620dcd6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 84a81be0-8496-45f6-bfcb-c7591ead53b2 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 20f7980b-48b0-419f-8c36-17401abc5ec6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 243d525e-ccec-473a-a2ae-45b038de69d9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3e14df7c-2fd8-4131-aeb2-cac4253ca1b9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 941829df-5a5f-4b50-b38f-0c4b3d65226e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3f91ef4c-7353-4d01-9bb7-216ecd32c5ec | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b537dcd9-9b21-4309-9738-073d23fb26a8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 908b39a4-4d38-4366-83ca-71b0525d3faa | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9d01c59c-282a-481d-a651-14c0a969a443 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 34481c16-5699-4502-abdf-4a84942b033d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1e814a6d-f1a6-4272-a635-6738a669387c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 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