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alendronate sodium trihydrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM118897

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄H₁₈NNaO₁₀P₂

charge

mass

325.03036

reference

InChIKey

DCSBSVSZJRSITC-UHFFFAOYSA-M

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

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2566 chebi:2566	alendronate sodium trihydrate Adronat Alendros Arendal Fosamax Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate
kegg.drug:D00939 keggD:D00939	Alendronate sodium (USP) Alendronate sodium hydrate (JP18) Binosto (TN) Fosamax (TN)
keggD:M_D00939	secondary/obsolete/fantasy identifier