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Astemizole

UUID 394aa64c-38ac-4ef9-96db-d74f8d559e55
Flow Object IDfo-202ebf21930446ca
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 68844-77-9
EC Numbers 272-441-9
prefLabel
Language Value Provenance
en Astemizole
altLabel ⓘ
Language Value Provenance
en 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine
en 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole
en 1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole
en Astemison
en astemizol
en astemizolum
en 1-(4-Fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole
en 1-[(4-Fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1<em>H</em>-benzimidazol-2-amine
en 1<em>H</em>-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-
en Astemisan
en Hismanal
en Histamen
en Histaminos
en Histazol
en Kelp
en Laridal
en MeSH ID: D016589
en Metodik
en NSC 329963
en Novo-Nastizol A
en Paralergin
en R 43512
en Retolen
en Stemiz
en Waruzol
Definitions
Language Value Provenance
en A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N
InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
IUPAC name 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-2-benzimidazolamine, 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine, [1-(4-fluorobenzyl)benzimidazol-2-yl]-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]amine
Molecular formula C28H31FN4O
Molecular mass 458.581
Monoisotopic mass 458.24819
SMILES COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F, COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 394aa64c-38ac-4ef9-96db-d74f8d559e55 astemizole

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 astemizole 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 1 — consensus_match group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; cas=68844-77-9; added Common Chemistry CAS names as altLabel: 1-(4-Fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole, 1-[(4-Fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1<em>H</em>-benzimidazol-2-amine, 1<em>H</em>-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-, Astemisan, Hismanal, Histamen, Histaminos, Histazol, Kelp, Laridal, MeSH ID: D016589, Metodik, NSC 329963, Novo-Nastizol A, Paralergin, R 43512, Retolen, Stemiz, Waruzol; object_uuid=fo-202ebf21930446ca
cas_match_labels 1 — consensus_match group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'68844-77-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-202ebf21930446ca: {'68844-77-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Astemison', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Astemison', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'astemizol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:astemizol', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'astemizolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:astemizolum', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Astemison', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Astemison', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'astemizol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:astemizol', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'astemizolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:astemizolum', 'http://purl.obolibrary.org/obo/CHEBI_2896', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-Fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[(4-Fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1<em>H</em>-benzimidazol-2-amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Astemisan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hismanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Histamen', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Histaminos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Histazol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kelp', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Laridal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D016589', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metodik', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 329963', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Novo-Nastizol A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paralergin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'R 43512', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Retolen', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Stemiz', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Waruzol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68844-77-9', 'https://commonchemistry.cas.org/detail?cas_rn=68844-77-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; cas=68844-77-9; added Common Chemistry CAS names as altLabel: 1-(4-Fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole, 1-[(4-Fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1<em>H</em>-benzimidazol-2-amine, 1<em>H</em>-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-, Astemisan, Hismanal, Histamen, Histaminos, Histazol, Kelp, Laridal, MeSH ID: D016589, Metodik, NSC 329963, Novo-Nastizol A, Paralergin, R 43512, Retolen, Stemiz, Waruzol; object_uuid=fo-202ebf21930446ca
cas_match_labels None {'68844-77-9': 'exactMatch'} group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'68844-77-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-202ebf21930446ca: {'68844-77-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "media": "Air",
    "indoor": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "394aa64c-38ac-4ef9-96db-d74f8d559e55",
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