Consensus flow list

Identity

Type
Neutral molecule
CAS
187393-00-6
EC
425-950-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Bemotrizinol

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XVAMCHGMPYWHNL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
IUPAC name chemrof:IUPAC_name 2,2′-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]phenol]
Molecular formula chemrof:molecular_formula C38H49N3O5
Molecular mass chemrof:molecular_mass 627.826
Monoisotopic mass chemrof:monoisotopic_mass 627.36722, 627.367222
SMILES string chemrof:smiles_string CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1

Known URLs

21

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=187393-00-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135857 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.441 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.468 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.207.803 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40896984 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11206 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3014 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3014 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759870 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104956 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PWZ1720CBH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.824.435G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.006.203E enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03227 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152505 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74398 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2104956 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135487856 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4885134 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bemotrizinol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3a06728e-6c0d-4f48-99bb-55ab5375029f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
50658195-813e-4480-833a-c40316fb1ec7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3c10cc69-333c-41ae-9409-bbd211e78803 Environmental → Air → Indoor EF 3.1 kg 4
effe149a-a188-48cc-9a1a-876f03f551e0 Environmental → Air → Long-term EF 3.1 kg 0
5645754c-d42e-449b-930e-e6c21e61056d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c658d4a3-addb-4e64-9a8a-e9569c8edf14 Environmental → Air → Unknown EF 3.1 kg 4
9090634e-0816-4d90-9223-1e377d479e73 Environmental → Ground → Agricultural EF 3.1 kg 4
98b81714-f827-4ce4-890f-d059c5639b66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ee318db2-1234-41cb-af43-6c8224a23953 Environmental → Ground → Unknown EF 3.1 kg 4
792ec4e0-f30d-4b7a-bbbd-16ea49fc8f4c Environmental → Water → Long-term EF 3.1 kg 0
b6d7240c-f122-484c-a81c-9f18a90815e8 Environmental → Water → Ocean EF 3.1 kg 4
190e8b85-3919-46c3-8838-8880b8e04831 Environmental → Water → Surface water EF 3.1 kg 4
bcd2d6e1-93ac-40d0-9484-e9edb76ee2bd Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e3bce30843f61b56",
  "prefLabel": [
    {
      "@value": "Bemotrizinol",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
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      "@value": "2,2′-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]phenol]",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine",
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      }
    },
    {
      "@value": "BEMT",
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      }
    },
    {
      "@value": "Cgf-c 1607",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Escalol S",
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    },
    {
      "@value": "FAT 70′884",
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    },
    {
      "@value": "Neo Heliopan BMT",
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      }
    },
    {
      "@value": "Parsol Shield",
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    },
    {
      "@value": "Phenol, 2,2′-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]-",
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        ],
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      }
    },
    {
      "@value": "Tianlaisch S",
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        ],
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      }
    },
    {
      "@value": "Tinosorb S",
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    },
    {
      "@value": "Tinosorb S Aqua",
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  },
  "references": [
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