alendronate sodium trihydrate (CHEBI:2566)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	alendronate sodium trihydrate

ChEBI ID	CHEBI:2566

Definition	A hydride that is the trihydrate of alendronate sodium

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formulae

C4H12NO7P2.3H2O.Na
C4H18NNaO10P2

Net Charge

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

InChIKey

DCSBSVSZJRSITC-UHFFFAOYSA-M

SMILES

O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O

Roles Classification
Biological Role(s):	EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dimethylallyltranstransferase (EC 2.5.1.1).

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.

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 2.5.1.1 (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)

IUPAC Name

sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate

Synonym	Source
Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate	ChemIDplus

Last Modified

04 February 2015