Molecular Identity
Clodronate
[dichloro(phosphono)methyl]phosphonic acid
PubChem CID: 25419
Clodronic acid is an organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases. It has a role as an antineoplastic agent and a bone density conservation agent. It is an organochlorine compound, a one-carbon compound and a 1,1-bis(phosphonic acid). It is a conjugate acid of a clondronate(2-).
2D Structure
Properties
CH4Cl2O6P2
Molecular Formula
244.89
Molecular Weight
g/mol
243.8860
Exact Mass
Da
-2.1
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
211
Complexity
SMILES
Canonical SMILES
SMILES: C(P(=O)(O)O)(P(=O)(O)O)(Cl)ClIsomeric SMILES
SMILES: C(P(=O)(O)O)(P(=O)(O)O)(Cl)ClSynonyms(20)
Clodronic Acid10596-23-3Clodronate(Dichloromethylene)diphosphonic acidAcido clodronicoAcide clodronique[dichloro(phosphono)methyl]phosphonic acidAcidum clodronicumClodronsaeureDichloromethylidene diphosphonate(Dichloromethylene)bisphosphonic acidDichloromethanediphosphonic acidPhosphonic acid, (dichloromethylene)bis-ClasteonLoron
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Clodronate
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