Consensus flow list

Identity

Type
Chemical salt
CAS
3844-45-9
EC
223-339-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, Disodium Salt

Alternative labels

44

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SGHZXLIDFTYFHQ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name disodium;2-[[4-[ethyl-(3-sulfonatobenzyl)amino]phenyl]-[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]besylate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Molecular formula chemrof:molecular_formula C37H34N2Na2O9S3, C37H34N2O9S3.2Na
Molecular mass chemrof:molecular_mass 792.865
Monoisotopic mass chemrof:monoisotopic_mass 792.12218, 792.122182
SMILES string chemrof:smiles_string CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Na+].[Na+]

Known URLs

13

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=3844-45-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82411 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020189 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184128 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PPQ093M8HR enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19352 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19352 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C71674 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19700 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1310605 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1807340 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q420093 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Brilliant_blue_FCF enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1d04e435-c48c-47cb-b6f6-de99c4bcfc18 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
06ebbf81-55ed-46c7-8498-cd8b61cb9506 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
eafc8950-fc6e-4d1d-9701-453a6a88bc17 Environmental → Air → Indoor EF 3.1 kg 2
31a6ea4d-d3e1-4576-afb7-4175ab8cf1c5 Environmental → Air → Long-term EF 3.1 kg 0
317a065d-0e28-40eb-87c1-897c45771dae Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
66e8dc62-a9d9-48a0-bb71-bd8fda4f46b0 Environmental → Air → Unknown EF 3.1 kg 2
b7620cfb-7fe3-4518-a0b8-050ae0396827 Environmental → Ground → Agricultural EF 3.1 kg 2
4ec1a115-4c9a-429e-8911-67dbff853733 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c9455591-665b-45e5-a1e9-84de3ac6ff01 Environmental → Ground → Unknown EF 3.1 kg 2
2d72262c-bb4c-4604-855b-c04786ddada8 Environmental → Water → Long-term EF 3.1 kg 0
945f4b5b-b42c-4549-bd6c-73f335cd631b Environmental → Water → Ocean EF 3.1 kg 0
081e951f-e83b-4e20-ae9e-7fc5d89ae546 Environmental → Water → Surface water EF 3.1 kg 2
8b8c09fb-78f1-4f12-9822-a8182f076bfd 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-db0cf3e2f60fa01e",
  "prefLabel": [
    {
      "@value": "Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, Disodium Salt",
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  ],
  "altLabel": [
    {
      "@value": "Acid Blue 9",
      "@language": "en",
      "@lang": "en",
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    {
      "@value": "Basacid Blue 756 Liquid",
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      }
    },
    {
      "@value": "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt",
      "@language": "en",
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    },
    {
      "@value": "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)",
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    },
    {
      "@value": "Blue FCF",
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    },
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      "@value": "Blue No. 1",
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    },
    {
      "@value": "Brilliant Blue",
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      }
    },
    {
      "@value": "Brilliant Blue E 133",
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      }
    },
    {
      "@value": "Brilliant Blue FCF",
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        ],
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      }
    },
    {
      "@value": "Brilliant Blue FCF Supra",
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      }
    },
    {
      "@value": "Brilliant Blue FCF, disodium salt",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "C.I. Acid Blue 9, disodium salt",
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      }
    },
    {
      "@value": "C.I. Food Blue 2",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Canacert Brilliant Blue FCF",
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        ],
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      }
    },
    {
      "@value": "D and C Blue No. 1",
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        ],
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      }
    },
    {
      "@value": "D&C Blue No. 1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium erioglaucine",
      "@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": "Dolkwal Brilliant Blue",
      "@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": "Duasyn Acid Blue AE 02",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "E133 Brilliant Blue FCF Granular",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "E133 Granular",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Erioglaucine disodium salt",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "FD and C Blue 1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "FD and C Blue No. 1",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "FD&C Blue No. 1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3844-45-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "FDC Blue 1",
      "@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=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Food Blue 2 CI 42090",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3844-45-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Food Blue Dye No. 1",
      "@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=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Food Brilliant blue",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexacol Brilliant Blue A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3844-45-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iragon Blue ABL9 HFC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=3844-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iragon Blue ABL9-L HFC",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Japan Blue 1",
      "@language": "en",
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