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Etidronate disodium

fo-1872bfcde16d9931

Identity

Type
Chemical salt
CAS
7414-83-7
EC
231-025-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Etidronate disodium

Alternative labels

46

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GWBBVOVXJZATQQ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name (1-hydroxyethane-1,1-diyl)diphosphonic acid disodium salt
Molecular formula chemrof:molecular_formula C2H6Na2O7P2, C2H6O7P2.2Na
Molecular mass chemrof:molecular_mass 249.991
Monoisotopic mass chemrof:monoisotopic_mass 249.93841, 249.938414
SMILES string chemrof:smiles_string CC(O)(P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]

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=7414-83-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4906 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.205 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1029671 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01077 enrich_references.chebi_xrefs
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1201042 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M16PXG993G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015210 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00314 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00314 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C831 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23894 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/106728 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11484098 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3100312 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3933343 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6280538 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/824086 enrich_references.chebi_xrefs
reaxys reaxys:5190835 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27106537 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
39463952-e142-4c6c-8573-3adbdf4fc265 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6be5ad52-226d-4439-8fe5-6ae376c2d07c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
109c2e61-5e13-4629-87b0-aa644bed3e11 Environmental → Air → Indoor EF 3.1 kg 2
471b86a3-814f-414e-90af-71ec60420ffc Environmental → Air → Long-term EF 3.1 kg 0
e40f21e4-f994-47be-a760-450237ebd922 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
246183e9-6aff-4c74-963d-218c0233efca Environmental → Air → Unknown EF 3.1 kg 2
d5a488b4-81fc-4536-a09e-dda4eca4d9fa Environmental → Ground → Agricultural EF 3.1 kg 2
fb27a87d-8ada-4cb7-8939-f06e6e9cb50d Environmental → Ground → Non-agricultural EF 3.1 kg 2
8f31fc32-0ab6-4c75-9767-118ab45cfca8 Environmental → Ground → Unknown EF 3.1 kg 2
1c97eab8-1281-42ba-b2ca-26e121ad2550 Environmental → Water → Long-term EF 3.1 kg 0
430fd2f9-df95-4c7f-a9e8-0c12aef30d49 Environmental → Water → Ocean EF 3.1 kg 2
c758b2cf-f6b3-4d34-b024-e25fba78c4cb Environmental → Water → Surface water EF 3.1 kg 2
48f80eef-3761-464d-bfd3-112ea55c8644 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1872bfcde16d9931",
  "prefLabel": [
    {
      "@value": "Etidronate disodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1-hydroxyethane-1,1-diyl)diphosphonic acid disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(1-hydroxyethylidene)diphosphonic acid, disodium salt",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Hydroxyethane-1,1-diphosphonic acid disodium salt",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-hydroxyethylidene-1,1-diphosphonic acid disodium salt",
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      "@value": "Calcimux",
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    },
    {
      "@value": "Chelest PH 210",
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      }
    },
    {
      "@value": "Chelest PH 212",
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      }
    },
    {
      "@value": "Cublen K 2012",
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      }
    },
    {
      "@value": "Cublen K 9012GR",
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      }
    },
    {
      "@value": "Didronel",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Didronel R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "disodium (1-hydroxyethane-1,1-diyl)bis[hydrogen (phosphonate)]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Disodium (1-hydroxyethylidene)-1,1-bisphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium (1-hydroxyethylidene)-1,1-diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "disodium (1-hydroxyethylidene)diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Disodium 1-hydroxy-1,1-ethanediphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium 1-hydroxyethane-1-diphosphonate",
      "@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=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium 1-hydroxyethanediphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "disodium 1-hydroxyethylidene phosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Disodium 1-hydroxyethylidenediphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium Dihydrogen (1-hydroxyethylidene)bisphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "disodium dihydrogen (1-hydroxyethylidene)diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "disodium ethane-1-hydroxy-1,1-diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Disodium ethane-1-hydroxy-1,1-diphosphonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7414-83-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium ethane-1-hydroxy-1-diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7414-83-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "disodium ethanol-1,1-diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "disodium ethydronate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "disodium etidronate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Disodium HEDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7414-83-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium hydroxy-[1-hydroxy-1-(hydroxy-oxidophosphoryl)ethyl]phosphinate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium hydroxyethylidene diphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7414-83-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Etidron",
      "@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": "Etidronic acid disodium salt",
      "@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": "Fostex NZ 2",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxyethylidene diphosphonic acid disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ostedron",
      "@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=7414-83-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt",
      "@language": "en",
      "@lang": "en",
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        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "7414-83-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=7414-83-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "231-025-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=231-025-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_4906"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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