CHEBI:7904 - Pamidronate disodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pamidronate disodium
ChEBI ID CHEBI:7904
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C3H19NNa2O12P2
C3H9NO7P2.2Na.5H2O
Net Charge 0
Average Mass 369.110
Monoisotopic Mass 369.01779
InChI InChI=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
InChIKey CZYWHNTUXNGDGR-UHFFFAOYSA-L
SMILES [Na+].[Na+].O.C(P(O)([O-])=O)(P([O-])(=O)O)(CCN)O.O.O.O.O
ChEBI Ontology
Outgoing Pamidronate disodium (CHEBI:7904) is a 1,1-bis(phosphonic acid) (CHEBI:77383)
Synonyms Sources
Pamidronate disodium KEGG COMPOUND
Pamidronate disodium pentahydrate KEGG COMPOUND
Manual Xref Database
D00941 KEGG DRUG
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Registry Number Type Source
109552-15-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017