Molecule ID: 31195

IUPAC Name: disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate

Description: The molecule is the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used (generally as the 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 a bone density conservation agent. It is an organic sodium salt and a one-carbon compound. It contains a clondronate(2-).

SMILES: O=P([O-])([O-])C(Cl)(Cl)P(=O)(O)O.[Na+].[Na+]

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][C][Branch1][C][Cl][Branch1][C][Cl][P][=Branch1][C][=O][Branch1][C][O][O].[Na+1].[Na+1]

InChI: InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: nan