Consensus flow list

Identity

Type
Chemical salt
CAS
577-11-7
EC
209-406-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Docusate Sodium

Alternative labels

218

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string APSBXTVYXVQYAB-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
IUPAC name chemrof:IUPAC_name sodium 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate, sodium 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate, sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate, sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate, sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
Molecular formula chemrof:molecular_formula C20H37NaO7S, C20H37O7S.Na
Molecular mass chemrof:molecular_mass 444.566
Monoisotopic mass chemrof:monoisotopic_mass 444.215769, 444.21577
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

Known URLs

14

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=577-11-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4674 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.553 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022959 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1905872 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F05Q2T2JA0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.564A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00305 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00305 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29000 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1905872 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23673837 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/71722 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2815334 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
140fbed3-c869-4a6f-b3d2-629ae4148a60 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
10554836-bcbd-4df9-a8ac-60448e9a3c18 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b10b1eb5-c2fa-4ee9-8cee-e43e03c9915f Environmental → Air → Indoor EF 3.1 kg 4
fba51da4-da05-45c7-9a83-694c87e69562 Environmental → Air → Long-term EF 3.1 kg 0
06a2f449-6376-48f1-9bf4-f89a405f59ce Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1cd6328c-7051-4aa0-9188-d3c085b912d9 Environmental → Air → Unknown EF 3.1 kg 4
7e2765ed-600c-45a0-a172-49fee08021fe Environmental → Ground → Agricultural EF 3.1 kg 4
abfcb215-d647-446f-a433-1d633e20b3d9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d56745e-9de9-4736-905b-e6f553456735 Environmental → Ground → Unknown EF 3.1 kg 4
20c3bbee-5830-4523-8d03-0cadb3264031 Environmental → Water → Long-term EF 3.1 kg 0
2aae50df-f4ec-403e-81b7-4e9ab7e2a347 Environmental → Water → Ocean EF 3.1 kg 4
b3a62c66-baf7-41ed-9180-8ccc4fc64b4d Environmental → Water → Surface water EF 3.1 kg 4
d3ae40f9-b785-43fc-9aee-d59989867574 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d4da1ba9941d4a13",
  "prefLabel": [
    {
      "@value": "Docusate Sodium",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "05035TX",
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    },
    {
      "@value": "1,4-Bis(2-ethylhexyl) sodium sulfosuccinate",
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    },
    {
      "@value": "Acrosol OT 100",
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    {
      "@value": "Adekacol EC 4500",
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    {
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    },
    {
      "@value": "Aerosol AOT",
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      "@value": "Aerosol GPG",
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    },
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      "@value": "Aerosol OT",
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    },
    {
      "@value": "Aerosol OT-A",
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    },
    {
      "@value": "Aerosol OT-B",
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    },
    {
      "@value": "Aerosol OT-S",
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    },
    {
      "@value": "Aerosol OT-SE",
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    },
    {
      "@value": "Airrol CT",
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    },
    {
      "@value": "Airrol CT 1",
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    },
    {
      "@value": "Airrol CT 1K",
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    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alcopol O",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Alcopol O 60",
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        ],
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      }
    },
    {
      "@value": "Alkasurf SS-O 75",
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    },
    {
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      }
    },
    {
      "@value": "AOT",
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    },
    {
      "@value": "AOT I",
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        ],
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      }
    },
    {
      "@value": "Astrowet O 70PG",
      "@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=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Astrowet O 75",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-ethylhexyl) 2-sulfosuccinate sodium salt",
      "@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=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-ethylhexyl) S-sodium sulfosuccinate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-ethylhexyl) sodiosulfosuccinate",
      "@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=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-ethylhexyl) sodium sulfosuccinate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-ethylhexyl) sulfosuccinate sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)",
      "@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=577-11-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carabon DA 72",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Celanol DOS 65",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Celanol DOS 75",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemax DOSS 70PG",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cola Wet DOSS-PG",
      "@language": "en",
      "@lang": "en",
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