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Celiprolol

UUID 5e38e9e9-dba2-4dd9-8823-ce9ab9d0d61f
Flow Object IDfo-e55135e67df0bbe1
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 56980-93-9
EC Numbers 260-497-7
prefLabel
Language Value Provenance
en Celiprolol
altLabel
Language Value Provenance
en DL-Celiprolol
en celiprolol HCl
en celiprolol hydrochloride
en celiprolol monohydrochloride
en selectol
en (<em>R</em>,<em>S</em>)-Celiprolol
en (±)-Celiprolol
en 1-[3-Acetyl-4-[3-(<em>tert</em>-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea
en <em>N</em>′-[3-Acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethylurea
en <em>dl</em>-Celiprolol
en <span class="text-smallcaps">DL</span>-Celiprolol
en MeSH ID: D017272
en Racemic Celiprolol
en Urea, <em>N</em>′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethyl-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey JOATXPAWOHTVSZ-UHFFFAOYSA-N
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
IUPAC name 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea, 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea, 3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea
Molecular formula C20H33N3O4
Molecular mass 379.501
Monoisotopic mass 379.24711
SMILES CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C, CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5e38e9e9-dba2-4dd9-8823-ce9ab9d0d61f celiprolol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 celiprolol Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; cas=56980-93-9; added Common Chemistry CAS names as altLabel: (<em>R</em>,<em>S</em>)-Celiprolol, (±)-Celiprolol, 1-[3-Acetyl-4-[3-(<em>tert</em>-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea, <em>N</em>′-[3-Acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethylurea, <em>dl</em>-Celiprolol, <span class="text-smallcaps">DL</span>-Celiprolol, MeSH ID: D017272, Racemic Celiprolol, Urea, <em>N</em>′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethyl-; object_uuid=fo-e55135e67df0bbe1
cas_match_labels 1 consensus_match group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56980-93-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e55135e67df0bbe1: {'56980-93-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'DL-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DL-Celiprolol', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol HCl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol HCl', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'selectol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:selectol', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'DL-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DL-Celiprolol', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol HCl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol HCl', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celiprolol monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celiprolol monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'selectol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:selectol', 'http://purl.obolibrary.org/obo/CHEBI_94461', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(<em>R</em>,<em>S</em>)-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[3-Acetyl-4-[3-(<em>tert</em>-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>′-[3-Acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>dl</em>-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">DL</span>-Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D017272', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Racemic Celiprolol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56980-93-9', 'https://commonchemistry.cas.org/detail?cas_rn=56980-93-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; cas=56980-93-9; added Common Chemistry CAS names as altLabel: (<em>R</em>,<em>S</em>)-Celiprolol, (±)-Celiprolol, 1-[3-Acetyl-4-[3-(<em>tert</em>-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea, <em>N</em>′-[3-Acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethylurea, <em>dl</em>-Celiprolol, <span class="text-smallcaps">DL</span>-Celiprolol, MeSH ID: D017272, Racemic Celiprolol, Urea, <em>N</em>′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethyl-; object_uuid=fo-e55135e67df0bbe1
cas_match_labels None {'56980-93-9': 'exactMatch'} group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56980-93-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e55135e67df0bbe1: {'56980-93-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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