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CHEBI:9598 - Tiludronic acid

ChEBI IDCHEBI:9598
ChEBI NameTiludronic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC7H9ClO6P2S
Net Charge0
Average Mass318.611
Monoisotopic Mass317.92836
SMILESO=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O
InChIInChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
InChIKeyDKJJVAGXPKPDRL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tiludronic acid (CHEBI:9598) is a organochlorine compound (CHEBI:36683)
Synonyms  Source
TiludronateKEGG COMPOUND
tiludronate disodiumDrugCentral
Tiludronic acidKEGG COMPOUND
Manual XrefsDatabases
2666DrugCentral
C08141KEGG COMPOUND
D08599KEGG DRUG
HMDB0015265HMDB
Registry NumbersSources
CAS:89987-06-4KEGG COMPOUND