Consensus flow list

Identity

Type
NeutralMolecule
CAS
103597-45-1
EC
403-800-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2'-methylenebis(6-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol)

Alternative labels

35

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FQUNFJULCYSSOP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3
IUPAC name chemrof:IUPAC_name 2,2'-methylenebis(6-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol)
Molecular formula chemrof:molecular_formula C41H50N6O2
Molecular mass chemrof:molecular_mass 658.891
Monoisotopic mass chemrof:monoisotopic_mass 658.39952, 658.399525
SMILES string chemrof:smiles_string CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

Known URLs

20

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=103597-45-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135865 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.550 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.990 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.486 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2046703 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11262 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3031 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3031 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759873 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104957 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8NT850T0YS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.801B enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03249 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152528 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65266 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2104957 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3571576 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4918369 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bisoctrizole enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
700bdb61-566b-4ec7-96e2-5125cadb9302 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
24c08a02-5753-4e1f-a9a7-903efb48fba1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6b652d7e-e8e8-42fb-bdbb-20bc8dcd4cf1 Environmental → Air → Indoor EF 3.1 kg 2
6f2cb45a-86b2-4df4-b3d2-67726afc2897 Environmental → Air → Long-term EF 3.1 kg 0
a0a4c94c-b134-4f37-8af7-5556df0ea525 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c99352c3-2cf8-4513-81b2-04231650ca95 Environmental → Air → Unknown EF 3.1 kg 2
9cd1fbb6-745c-4649-a383-27af4aa7b770 Environmental → Ground → Agricultural EF 3.1 kg 2
d8986a02-e833-465a-9581-df61dc6871b3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0f8227e3-1974-4f92-98ed-63f89eba3df1 Environmental → Ground → Unknown EF 3.1 kg 2
6cea424b-075c-41af-b27f-e555abaf0084 Environmental → Water → Long-term EF 3.1 kg 0
652273e8-68d0-4b19-baf2-53b83ff75d56 Environmental → Water → Ocean EF 3.1 kg 2
3fa30fe9-aad2-4684-b08b-09ffb4884980 Environmental → Water → Surface water EF 3.1 kg 2
92c9c4ce-25f8-41a3-bb02-70c3976c5927 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ecd515a3c2874a13",
  "prefLabel": [
    {
      "@value": "2,2'-methylenebis(6-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Methylene-bis-(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol)",
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        ],
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      }
    },
    {
      "@value": "2,2′-Methylenebis(4-tert-octyl-6-benzotriazol-2-ylphenol)",
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    },
    {
      "@value": "2,2′-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-(2H-benzotriazol-2-yl)phenol]",
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    },
    {
      "@value": "2,2′-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazol-2-ylphenol]",
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      "@value": "2,2′-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazolylphenol]",
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    {
      "@value": "2,2′-Methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol]",
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    {
      "@value": "2,2′-Methylenebis[6-(2H-benzotriazol-2-yl)-4-tert-octylphenol]",
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    {
      "@value": "2,2′-Methylenebis[6-(2H-benzotriazole-2-yl)-4-tert-octylphenol]",
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    },
    {
      "@value": "Adeka Nol UC 3125",
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    },
    {
      "@value": "Adeka Stab LA 31",
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      }
    },
    {
      "@value": "ADK Stab LA 31",
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      }
    },
    {
      "@value": "ADK Stab LA 31R",
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    },
    {
      "@value": "ADK Stab LA 31RG",
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    },
    {
      "@value": "ADK-ARKLS LA 31",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis[2-hydroxy-5-tert-octyl-3-(benzotriazol-2-yl)phenyl]methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Bis[2-hydroxy-5-tert-octyl-3-(benzotriazole-2-yl)phenyl]methane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bisoctrizole",
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      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "bisoctyltriazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_135865"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Eversorb 78",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "FAT 75′634",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "K 22M40",
      "@language": "en",
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      }
    },
    {
      "@value": "LA 31RG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
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      }
    },
    {
      "@value": "Mark LA 31",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MBBT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylenebis(2-hydroxy-3-(benzotriazol-2-yl)-5-tert-octylphenyl)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103597-45-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mixxim ADK LA 31",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mixxim BB 100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Parsol Max",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=103597-45-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Riasorb UV 360",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tinosorb M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tinosorb M-WG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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