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CHEBI:7904 - Pamidronate disodium

Default Structure
ChEBI IDCHEBI:7904
ChEBI NamePamidronate disodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC3H9NO7P2.5H2O.2Na
Net Charge0
Average Mass369.108
Monoisotopic Mass369.01779
SMILESNCCC(O)(P(=O)([O-])O)P(=O)([O-])O.O.O.O.O.O.[Na+].[Na+]
InChIInChI=1S/C3H11NO7P2.2Na.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;5*1H2/q;2*+1;;;;;/p-2
InChIKeyCZYWHNTUXNGDGR-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Pamidronate disodium (CHEBI:7904) is a 1,1-bis(phosphonic acid) (CHEBI:77383)
Synonyms  Source
Pamidronate disodiumKEGG COMPOUND
Pamidronate disodium pentahydrateKEGG COMPOUND
Manual XrefsDatabases
D00941KEGG DRUG
Registry NumbersSources
CAS:109552-15-0KEGG COMPOUND