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Ezetimibe Intermediate

UUID d0c5b8a2-6b2c-4390-a259-f53165fd7754
Flow Object IDfo-8cb6595de75a655a
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 189028-93-1
EC Numbers 480-320-9
prefLabel
Language Value Provenance
en Ezetimibe Intermediate
altLabel ⓘ
Language Value Provenance
en (4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one
en (<em>S</em>)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
en (<em>S</em>)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one
en (<em>S</em>)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one
en 1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-
en 1-(4-Fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione
en 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
en 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4<em>S</em>)-
en 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (<em>S</em>)-
References
Shared Properties
Predicate Value
InChIKey XXSSRSVXDNUAQX-KRWDZBQOSA-N, XXSSRSVXDNUAQX-QGZVFWFLSA-N, XXSSRSVXDNUAQX-UHFFFAOYSA-N
InChI InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2, InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m0/s1, InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
IUPAC name 1-(4-fluorophenyl)-5-(2-keto-4-phenyl-oxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-(2-oxo-4-phenyl-3-oxazolidinyl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4R)-2-keto-4-phenyl-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4R)-2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4R)-2-oxo-4-phenyl-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4S)-2-keto-4-phenyl-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4S)-2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-oxazolidin-3-yl]pentane-1,5-dione
Molecular formula C20H18FNO4
SMILES C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3, C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3, C1[C@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d0c5b8a2-6b2c-4390-a259-f53165fd7754 ezetimibe intermediate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ezetimibe intermediate Emissions/Emissions to water/Emissions to fresh water 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=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=189028-93-1; added Common Chemistry CAS names as altLabel: (4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one, (<em>S</em>)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, (<em>S</em>)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one, (<em>S</em>)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one, 1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-, 1-(4-Fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione, 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4<em>S</em>)-, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (<em>S</em>)-; object_uuid=fo-8cb6595de75a655a
cas_match_labels 1 — consensus_match group_key=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'189028-93-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8cb6595de75a655a: {'189028-93-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(4-Fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:189028-93-1', 'https://commonchemistry.cas.org/detail?cas_rn=189028-93-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=189028-93-1; added Common Chemistry CAS names as altLabel: (4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one, (<em>S</em>)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, (<em>S</em>)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one, (<em>S</em>)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one, 1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-, 1-(4-Fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione, 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4<em>S</em>)-, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (<em>S</em>)-; object_uuid=fo-8cb6595de75a655a
cas_match_labels None {'189028-93-1': 'exactMatch'} group_key=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'189028-93-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8cb6595de75a655a: {'189028-93-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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