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Celecoxib

UUID 61951911-d9cf-4cf1-bf45-245ae715d8e8
Flow Object IDfo-bd53dac9826e1791
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 169590-42-5
EC Numbers 685-962-5
prefLabel ⓘ
Language Value Provenance
en Celecoxib
altLabel ⓘ
Language Value Provenance
en 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
en Celebrex
en celecoxibum
en p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide
en 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide
en 4-[5-(<em>p</em>-Tolyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide
en Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]-
en Celebra
en Celecox
en Celocoxib
en Eurocox
en Medicoxib
en Onsenal
en SC 58635
en Xilebao
en YM 177
Definitions
Language Value Provenance
en A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
IUPAC name 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide, 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular formula C17H14F3N3O2S
Molecular mass 381.379
Monoisotopic mass 381.07588
SMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F, Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 61951911-d9cf-4cf1-bf45-245ae715d8e8 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide Emissions/Emissions to air/Emissions to air, indoor 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=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=169590-42-5; added Common Chemistry CAS names as altLabel: 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide, 4-[5-(<em>p</em>-Tolyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide, Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]-, Celebra, Celecox, Celocoxib, Eurocox, Medicoxib, Onsenal, SC 58635, Xilebao, YM 177; object_uuid=fo-bd53dac9826e1791
cas_match_labels 1 — consensus_match group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'169590-42-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd53dac9826e1791: {'169590-42-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=169590-42-5; cc_chebi_agreed_name='Celecoxib'; object_uuid=fo-bd53dac9826e1791

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Celecoxib', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=169590-42-5; cc_chebi_agreed_name='Celecoxib'; object_uuid=fo-bd53dac9826e1791
altLabel [{'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Celebrex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Celebrex', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Celecoxib', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Celecoxib', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celecoxibum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celecoxibum', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Celebrex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Celebrex', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celecoxibum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celecoxibum', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide', '@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=169590-42-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bd53dac9826e1791
altLabel [{'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Celebrex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Celebrex', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'celecoxibum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:celecoxibum', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide', '@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': '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': 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'prov:hadPrimarySource': ['label:p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide', 'http://purl.obolibrary.org/obo/CHEBI_41423', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-[5-(<em>p</em>-Tolyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Celebra', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Celecox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Celocoxib', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Eurocox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Medicoxib', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Onsenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SC 58635', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Xilebao', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'YM 177', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:169590-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=169590-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=169590-42-5; added Common Chemistry CAS names as altLabel: 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide, 4-[5-(<em>p</em>-Tolyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide, Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]-, Celebra, Celecox, Celocoxib, Eurocox, Medicoxib, Onsenal, SC 58635, Xilebao, YM 177; object_uuid=fo-bd53dac9826e1791
cas_match_labels None {'169590-42-5': 'exactMatch'} group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'169590-42-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd53dac9826e1791: {'169590-42-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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