etidronic acid   

GtoPdb Ligand ID: 7184

Synonyms: Didronel® | etidronate disodium
etidronic acid is an approved drug
Compound class: Synthetic organic
Comment: Etidronic acid is a bisphosphonate drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 2
Topological polar surface area 154.91
Molecular weight 205.97
XLogP -3.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(P(=O)(O)O)(P(=O)(O)O)O
Isomeric SMILES CC(P(=O)(O)O)(P(=O)(O)O)O
InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChI Key DBVJJBKOTRCVKF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
(1-hydroxy-1-phosphonoethyl)phosphonic acid
International Nonproprietary Names
INN number INN
2758 etidronic acid
Synonyms
Didronel® | etidronate disodium
Database Links
CAS Registry No. 2809-21-4
ChEMBL Ligand CHEMBL871
DrugBank Ligand DB01077
DrugCentral Ligand 1098
GtoPdb PubChem SID 178103759
PubChem CID 3305
RCSB PDB Ligand 911
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Wikipedia Etidronic acid