CHEBI:9598 - Tiludronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tiludronic acid
ChEBI ID CHEBI:9598
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H9ClO6P2S
Net Charge 0
Average Mass 318.610
Monoisotopic Mass 317.92836
InChI InChI=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)
InChIKey DKJJVAGXPKPDRL-UHFFFAOYSA-N
SMILES OP(O)(=O)C(Sc1ccc(Cl)cc1)P(O)(O)=O
ChEBI Ontology
Outgoing Tiludronic acid (CHEBI:9598) is a organochlorine compound (CHEBI:36683)
Synonyms Sources
Tiludronate KEGG COMPOUND
tiludronate disodium DrugCentral
Tiludronic acid KEGG COMPOUND
Manual Xrefs Databases
2666 DrugCentral
C08141 KEGG COMPOUND
D08599 KEGG DRUG
HMDB0015265 HMDB
View more database links
Registry Number Type Source
89987-06-4 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017