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Metoprolol

UUID 5bc537a6-3f7b-4baa-8744-13bb2c4a41ce
Flow Object IDfo-a21c081903a8657d
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 51384-51-1
EC Numbers 257-166-4
prefLabel ⓘ
Language Value Provenance
en Metoprolol
altLabel ⓘ
Language Value Provenance
en (RS)-Metoprolol
en 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
en (<em>RS</em>)-Metoprolol
en (±)-Metoprolol
en 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
en 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol
en 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
en <em>dl</em>-Metoprolol
en Beatrolol
en CGP 2175
en MeSH ID: D008790
en Meijoprolol
en Metocard
en Seroken
en Spesicor
en Toprol
en Vazocardin
en [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine
Definitions
Language Value Provenance
en A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
InChI 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 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol, 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular formula C15H25NO3
Molecular mass 267.369
Monoisotopic mass 267.18344
SMILES CC(C)NCC(COC1=CC=C(C=C1)CCOC)O, COCCc1ccc(OCC(O)CNC(C)C)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5bc537a6-3f7b-4baa-8744-13bb2c4a41ce 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=51384-51-1; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-Metoprolol, (±)-Metoprolol, 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol, 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol, 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, <em>dl</em>-Metoprolol, Beatrolol, CGP 2175, MeSH ID: D008790, Meijoprolol, Metocard, Seroken, Spesicor, Toprol, Vazocardin, [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine; object_uuid=fo-a21c081903a8657d
cas_match_labels 1 — consensus_match group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51384-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a21c081903a8657d: {'51384-51-1': 'exactMatch'}
prefLabel 1 — consensus_match cas=51384-51-1; cc_chebi_agreed_name='Metoprolol'; object_uuid=fo-a21c081903a8657d

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=51384-51-1; cc_chebi_agreed_name='Metoprolol'; object_uuid=fo-a21c081903a8657d
altLabel [{'@value': '(RS)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-Metoprolol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Metoprolol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(RS)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-Metoprolol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=51384-51-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a21c081903a8657d
altLabel [{'@value': '(RS)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-Metoprolol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '(RS)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-Metoprolol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol', 'http://purl.obolibrary.org/obo/CHEBI_6904', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(<em>RS</em>)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>dl</em>-Metoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Beatrolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CGP 2175', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D008790', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Meijoprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metocard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Seroken', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spesicor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toprol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vazocardin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51384-51-1', 'https://commonchemistry.cas.org/detail?cas_rn=51384-51-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=51384-51-1; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-Metoprolol, (±)-Metoprolol, 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol, 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol, 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, <em>dl</em>-Metoprolol, Beatrolol, CGP 2175, MeSH ID: D008790, Meijoprolol, Metocard, Seroken, Spesicor, Toprol, Vazocardin, [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine; object_uuid=fo-a21c081903a8657d
cas_match_labels None {'51384-51-1': 'exactMatch'} group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51384-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a21c081903a8657d: {'51384-51-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "population_density": "Rural (<1000 people/square mile)"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
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