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Alclofenac

UUID 1a53deae-e9e9-457a-99a1-d29c81a249e6
Flow Object IDfo-95aff18aa9e4c703
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 22131-79-9
EC Numbers 244-795-4
prefLabel
Language Value Provenance
en Alclofenac
altLabel ⓘ
Language Value Provenance
en (4-Allyloxy-3-chlorphenyl)essigsaeure
en 3-Chloro-4-(2-propenyloxy)benzeneacetic acid
en [3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid
en [4-(allyloxy)-3-chlorophenyl]acetic acid
en alclofenaco
en alclofenacum
en 2-(4-(Allyloxy)-3-chlorophenyl)acetic acid
en 2-(4-(Allyloxy)-3-chlorophenyl)aceticacid
en 2-[3-Chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid
en 3-Chloro-4-(2-propen-1-yloxy)benzeneacetic acid
en Acetic acid, [4-(allyloxy)-3-chlorophenyl]-
en Aclofenac
en Alclophenac
en Allopydin
en Benzeneacetic acid, 3-chloro-4-(2-propen-1-yloxy)-
en Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-
en Epinal
en MY 101
en Medifenac
en Mervan
en Neosten
en Neoston
en Prinalgin
en Reufenac
en W 7320
en Zumaril
en [3-Chloro-4-(allyloxy)phenyl]acetic acid
Definitions
Language Value Provenance
en An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ARHWPKZXBHOEEE-UHFFFAOYSA-N
InChI InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
IUPAC name 2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoic acid, 2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid, 2-(4-allyloxy-3-chloro-phenyl)acetic acid
Molecular formula C11H11ClO3
Molecular mass 226.659
Monoisotopic mass 226.03967
SMILES C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl, C=CCOc1ccc(CC(=O)O)cc1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1a53deae-e9e9-457a-99a1-d29c81a249e6 alclofenac

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 alclofenac Emissions/Emissions to air/Emissions to air, unspecified 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=alclofenac||dimension=Environmental > media=Ground > geography=Unknown; cas=22131-79-9; added Common Chemistry CAS names as altLabel: 2-(4-(Allyloxy)-3-chlorophenyl)acetic acid, 2-(4-(Allyloxy)-3-chlorophenyl)aceticacid, 2-[3-Chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid, 3-Chloro-4-(2-propen-1-yloxy)benzeneacetic acid, Acetic acid, [4-(allyloxy)-3-chlorophenyl]-, Aclofenac, Alclophenac, Allopydin, Benzeneacetic acid, 3-chloro-4-(2-propen-1-yloxy)-, Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-, Epinal, MY 101, Medifenac, Mervan, Neosten, Neoston, Prinalgin, Reufenac, W 7320, Zumaril, [3-Chloro-4-(allyloxy)phenyl]acetic acid; object_uuid=fo-95aff18aa9e4c703
cas_match_labels 1 — consensus_match group_key=alclofenac||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'22131-79-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-95aff18aa9e4c703: {'22131-79-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(4-Allyloxy-3-chlorphenyl)essigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(4-Allyloxy-3-chlorphenyl)essigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Chloro-4-(2-propenyloxy)benzeneacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Chloro-4-(2-propenyloxy)benzeneacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[4-(allyloxy)-3-chlorophenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[4-(allyloxy)-3-chlorophenyl]acetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alclofenaco', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alclofenaco', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alclofenacum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alclofenacum', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(4-Allyloxy-3-chlorphenyl)essigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(4-Allyloxy-3-chlorphenyl)essigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Chloro-4-(2-propenyloxy)benzeneacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Chloro-4-(2-propenyloxy)benzeneacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[4-(allyloxy)-3-chlorophenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[4-(allyloxy)-3-chlorophenyl]acetic acid', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alclofenaco', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alclofenaco', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alclofenacum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alclofenacum', 'http://purl.obolibrary.org/obo/CHEBI_31183', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-(Allyloxy)-3-chlorophenyl)acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(4-(Allyloxy)-3-chlorophenyl)aceticacid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-[3-Chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Chloro-4-(2-propen-1-yloxy)benzeneacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, [4-(allyloxy)-3-chlorophenyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aclofenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Alclophenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allopydin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 3-chloro-4-(2-propen-1-yloxy)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Epinal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MY 101', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Medifenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mervan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neosten', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neoston', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prinalgin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reufenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'W 7320', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Zumaril', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[3-Chloro-4-(allyloxy)phenyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22131-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=22131-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=alclofenac||dimension=Environmental > media=Ground > geography=Unknown; cas=22131-79-9; added Common Chemistry CAS names as altLabel: 2-(4-(Allyloxy)-3-chlorophenyl)acetic acid, 2-(4-(Allyloxy)-3-chlorophenyl)aceticacid, 2-[3-Chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid, 3-Chloro-4-(2-propen-1-yloxy)benzeneacetic acid, Acetic acid, [4-(allyloxy)-3-chlorophenyl]-, Aclofenac, Alclophenac, Allopydin, Benzeneacetic acid, 3-chloro-4-(2-propen-1-yloxy)-, Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-, Epinal, MY 101, Medifenac, Mervan, Neosten, Neoston, Prinalgin, Reufenac, W 7320, Zumaril, [3-Chloro-4-(allyloxy)phenyl]acetic acid; object_uuid=fo-95aff18aa9e4c703
cas_match_labels None {'22131-79-9': 'exactMatch'} group_key=alclofenac||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'22131-79-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-95aff18aa9e4c703: {'22131-79-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
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  "identifier": "1a53deae-e9e9-457a-99a1-d29c81a249e6",
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  "properties": {
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