Metoprolol
fo-a21c081903a8657d
Identity
- Type
- Neutral molecule
- CAS
- 51384-51-1
- EC
- 257-166-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
1
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 |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
17- (RS)-Metoprolol
- (±)-Metoprolol
- 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
- 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
- 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol
- 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
- [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine
- Beatrolol
- dl-Metoprolol
- Meijoprolol
- MeSH ID: D008790
- Metocard
- Seroken
- Spesicor
- Toprol
- Vazocardin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IUBSYMUCCVWXPE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| Molecular formula chemrof:molecular_formula | C15H25NO3 |
| Molecular mass chemrof:molecular_mass | 267.369 |
| Monoisotopic mass chemrof:monoisotopic_mass | 267.18344, 267.183444 |
| SMILES string chemrof:smiles_string | COCCc1ccc(OCC(O)CNC(C)C)cc1 |
Known URLs
33Where 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=51384-51-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6904 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.048.603 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.051.952 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2023309 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00264 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00264 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1786 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1786 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL13 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G46992WB | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GEB06NHM23 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001932 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.137E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07202 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02358 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07202 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02358 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-1259 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37939 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61845 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450480 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/L4D1FYPSTQQJ | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL13 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4171 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15140634 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15797646 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23314750 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24025984 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1117585 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6918 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q409468 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Metoprolol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5973c069-7798-4ce2-a05b-bd5115751c33 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9dfada54-bec2-4152-a281-e9e5d09da60e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 77eab635-3628-4503-bf58-acaee834c7a2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 5bc537a6-3f7b-4baa-8744-13bb2c4a41ce | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 48ef640b-f2ea-44db-9b28-a6ee90fa7f99 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 660e4a57-3790-4e40-b9fd-5d93bebb26ae | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4494fa6c-9ec4-4235-904b-d1a2e3a4c73c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b6b5f1c0-82b1-4508-8ea9-5304875acd7f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2bf76d36-1dac-4089-a51d-35cfa5f0457b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7b6d92a3-7cdd-4698-8bab-67e897a102d9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6e8c78bc-f170-4450-8bf2-fc00e10854fa | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bdce0bb8-60fe-44c5-b0cc-bf0027818585 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 103c7b07-053a-4a4f-9889-56fa56614580 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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