CHEBI:2566 - alendronate sodium trihydrate

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ChEBI Name alendronate sodium trihydrate
Definition A hydride that is the trihydrate of alendronate sodium
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C4H12NO7P2.3H2O.Na
Net Charge 0
Average Mass 325.12370
Monoisotopic Mass 325.03036
InChI InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1
SMILES O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
Roles Classification
Biological Role(s): EC (dimethylallyltranstransferase) inhibitor
An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dimethylallyltranstransferase (EC
Application(s): 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.
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ChEBI Ontology
Outgoing alendronate sodium trihydrate (CHEBI:2566) has part alendronate(1-) (CHEBI:50647)
alendronate sodium trihydrate (CHEBI:2566) has role bone density conservation agent (CHEBI:50646)
alendronate sodium trihydrate (CHEBI:2566) has role EC (dimethylallyltranstransferase) inhibitor (CHEBI:50643)
alendronate sodium trihydrate (CHEBI:2566) is a hydrate (CHEBI:35505)
alendronate sodium trihydrate (CHEBI:2566) is a organic sodium salt (CHEBI:38700)
sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate
Synonym Source
Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate ChemIDplus
Brand Names Sources
Adronat DrugBank
Alendros DrugBank
Arendal DrugBank
Fosamax DrugBank
Manual Xrefs Databases
Alendronic_acid Wikipedia
DB00630 DrugBank
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Registry Numbers Types Sources
121268-17-5 CAS Registry Number ChemIDplus
13434693 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19539104 PubMed citation Europe PMC
25607347 PubMed citation Europe PMC
Last Modified
04 February 2015