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CHEBI:59587 - disodium clodronate tetrahydrate

ChEBI IDCHEBI:59587
ChEBI Namedisodium clodronate tetrahydrate
Stars
DefinitionThe tetrahydrate of the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.
Last Modified12 June 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaCH2Cl2O6P2.4H2O.2Na
Net Charge0
Average Mass360.915
Monoisotopic Mass359.89216
SMILESO.O.O.O.O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/CH4Cl2O6P2.2Na.4H2O/c2-1(3,10(4,5)6)11(7,8)9;;;;;;/h(H2,4,5,6)(H2,7,8,9);;;4*1H2/q;2*+1;;;;/p-2
InChIKeyXWHPUCFOTRBMGS-UHFFFAOYSA-L
Roles Classification
Application:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
ChEBI Ontology
Outgoing Relation(s)
disodium clodronate tetrahydrate (CHEBI:59587) has part clodronic acid disodium salt (CHEBI:59586)
disodium clodronate tetrahydrate (CHEBI:59587) has role bone density conservation agent (CHEBI:50646)
disodium clodronate tetrahydrate (CHEBI:59587) is a hydrate (CHEBI:35505)
disodium clodronate tetrahydrate (CHEBI:59587) is a one-carbon compound (CHEBI:64708)
IUPAC Name 
disodium (dichloromethanediyl)bis[hydrogen (phosphonate)]—water (1/4)
Synonyms  Source
clodronate disodiumChEBI
clodronate disodium tetrahydrateChEBI
disodium (dichloromethylene)disphosphonate tetrahydrateChEBI