1-hydroxy-1,1-diphosphonoethane
fo-68cc4d50b723490b
Identity
- Type
- Neutral molecule
- CAS
- 2809-21-4
- EC
- 220-552-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
82- (1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
- (1-Hydroxyethylene)diphosphonic acid
- (1-Hydroxyethylidene)-1,1-bis(phosphonic acid)
- (1-Hydroxyethylidene)-1,1-diphosphonic acid
- (1-Hydroxyethylidene)bis(phosphonic acid)
- (1-Hydroxyethylidene)bisphosphonic acid
- (1-Hydroxyethylidene)diphosphonic acid
- (Hydroxyethylidene)diphosphonic acid
- 1,1,1-Ethanetriol diphosphonate
- 1-Hydroxyethane-1,1-bisphosphonic acid
- 1-Hydroxyethane-1,1-diphosphonate
- 1-Hydroxyethane-1,1-diphosphonic acid
- 1-Hydroxyethane-1,1-diyldiphosphonic acid
- 1-Hydroxyethane-1,2-diphosphonic acid
- 1-Hydroxyethanediphosphonic acid
- 1-Hydroxyethyl-1,1-diphosphoric acid
- 1-Hydroxyethylidene-1,1-bisphosphonate
- 1-Hydroxyethylidene-1,1-diphoshonic acid
- 1-Hydroxyethylidene-1,1-diphosphonic acid
- 1-Hydroxyethylidene-1,1-diphosphoric acid
- 1-Hydroxyethylidene-1,1′-diphosphonic acid
- 1000SL
- Acetodiphosphonic acid
- acide etidronique
- acido etidronico
- acidum etidronicum
- Anti Cal 5
- Aquacid 105CG
- Aquacid 105EX
- Aquacid 105EXLC
- Aquacid 105EXSP
- Aquacid 105NS
- Belclene 660LA
- Briquest ADPA 60A
- Briquest ADPA-A
- Chelest PH 210L
- Cublen K 60
- Cublen K 8514G
- Defloc EH 06
- Dequest 16
- Dequest 2010CS
- Dequest 2010EG
- Dequest 2010EL
- Dequest 2010LA
- Dequest D 2010
- Dequest LC 2010
- Dequest Z 010
- EHDP
- ethane-1-hydroxy-1,1-bisphosphonic acid
- Ethane-1-hydroxy-1,1-diphosphonate
- Ethane-1-hydroxy-1,1-diphosphonic acid
- Ethidronate
- Ethydronate
- etidronate
- etidronic acid
- Etidronsaeure
- Feliox CY 115
- HDEPA
- HEDP
- Hydroxyethanediphosphonic acid
- Kilesbit D
- Kochtreat 75
- Ksidifon
- Mascol P 210
- Masquol P 210
- OEDF
- OEDFK
- OEDP
- Oxyethylidenediphosphonic acid
- P,P′-(1-Hydroxyethylidene)bis[phosphonic acid]
- Phosphonic acid, (1-hydroxyethylidene)bis-
- Phosphonic acid, (1-hydroxyethylidene)di-
- Phosphonic acid, P,P′-(1-hydroxyethylidene)bis-
- Polyphoscor
- Sequion 10H
- Terpil SL
- Turpinal SL
- Turpinal SLR
- Wayplex
- Xidifon
- Xidiphone
- Xydiphone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) |
| IUPAC name chemrof:IUPAC_name | 1-hydroxy-1,1-diphosphonoethane |
| Molecular formula chemrof:molecular_formula | C2H8O7P2 |
| Molecular mass chemrof:molecular_mass | 206.027 |
| Monoisotopic mass chemrof:monoisotopic_mass | 205.974526, 205.97453 |
| SMILES string chemrof:smiles_string | CC(O)(P(=O)(O)O)P(=O)(O)O |
Known URLs
40Where 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=2809-21-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4907 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.684 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6023028 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01077 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01077 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1098 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1098 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=227995 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL871 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M2F465ROXU | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015210 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.915D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07736 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02373 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07736 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02373 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5508 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43311 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1332 | enrich_references.pubchem_identifier_url |
| patent | patent:US3159581 | enrich_references.chebi_xrefs |
| patent | patent:US3400147 | enrich_references.chebi_xrefs |
| patent | patent:US3468935 | enrich_references.chebi_xrefs |
| patent | patent:US3475486 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:911 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449548 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL871 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3305 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=071010 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10385693 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11503828 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17157266 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17214981 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18313802 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18646327 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22515905 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7858370 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1789291 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2758338 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Etidronic_acid | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1f314b90-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9518-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f46fbc83-07be-48d8-a750-91dc4857587a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9517-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9519-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-916e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-916c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9171-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-916d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-916f-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9172-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-951a-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9170-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
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{
"@value": "1-hydroxy-1,1-diphosphonoethane",
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{
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{
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{
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{
"@value": "1-Hydroxyethane-1,1-diyldiphosphonic acid",
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{
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{
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{
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{
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{
"@value": "1-Hydroxyethylidene-1,1-diphosphoric acid",
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},
{
"@value": "1-Hydroxyethylidene-1,1′-diphosphonic acid",
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},
{
"@value": "1000SL",
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},
{
"@value": "Acetodiphosphonic acid",
"@language": "en",
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},
{
"@value": "acide etidronique",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "acido etidronico",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "acidum etidronicum",
"@language": "en",
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"provenance": {
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Anti Cal 5",
"@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": "Aquacid 105CG",
"@language": "en",
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"provenance": {
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}
},
{
"@value": "Aquacid 105EX",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aquacid 105EXLC",
"@language": "en",
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}
},
{
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
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],
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"reason": "",
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}
}
},
"classifications": {
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],
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],
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},
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"@value": [
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],
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],
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},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.",
"@language": "en",
"provenance": {
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"@type": [
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]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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