Marvin  02171115592D          

 11 10  0  0  0  0            999 V2000
   12.6221   -5.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   -4.8401    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.0511   -5.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   -4.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9076   -4.8402    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.1931   -5.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9076   -4.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2096   -5.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0345   -5.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0512   -4.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1931   -4.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9  1  1  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <ID>
CHEBI:4907

> <NAME>
etidronic acid

> <DEFINITION>
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.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:63588

> <SYNONYM>
Oxyethylidenediphosphonic acid; Hydroxyethanediphosphonic acid; HEDP; Etidronsaeure; etidronate; Ethane-1-hydroxy-1,1-diphosphonic acid; Ethane-1-hydroxy-1,1-diphosphonate; ethane-1-hydroxy-1,1-bisphosphonic acid; EHDP; Acetodiphosphonic acid; 1-Hydroxyethylidene-1,1-diphosphonic acid; 1-Hydroxyethylidene-1,1-diphosphonic acid; 1-Hydroxyethylidene-1,1-bisphosphonate; 1-Hydroxyethanediphosphonic acid; 1-Hydroxyethane-1,1-diphosphonic acid; 1-Hydroxyethane-1,1-diphosphonate; 1-Hydroxyethane-1,1-bisphosphonic acid; 1-Hydroxy-1,1-diphosphonoethane; 1,1,1-Ethanetriol diphosphonate; (Hydroxyethylidene)diphosphonic acid; (1-Hydroxyethylidene)diphosphonic acid; (1-Hydroxyethylidene)bisphosphonic acid; (1-Hydroxyethylidene)bis(phosphonic acid); (1-Hydroxyethylene)diphosphonic acid

> <IUPAC_NAME>
(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)

> <INN>
etidronic acid; acidum etidronicum; acido etidronico; acide etidronique

> <FORMULA>
C2H8O7P2

> <MASS>
206.02820

> <MONOISOTOPIC_MASS>
205.97453

> <CHARGE>
0

> <SMILES>
CC(O)(P(O)(O)=O)P(O)(O)=O

> <INCHI>
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

> <INCHIKEY>
DBVJJBKOTRCVKF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2809-21-4

> <REAXYS_REGISTRY_NUMBER>
1789291

> <CHEMIDPLUS>
2809-21-4

> <DRUGBANK_ACCESSION>
DB01077

> <KEGG_COMPOUND_ACCESSION>
C07736

> <KEGG_DRUG_ACCESSION>
D02373

> <LINCS_ACCESSION>
LSM-5508

> <PDBECHEM_ACCESSION>
911

> <WIKIPEDIA_ACCESSION>
Etidronic_acid

> <PUBMED_CITATION>
10385693; 11503828; 17157266; 17214981; 18313802; 18646327; 22515905; 7858370

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