Molecule ID: 23724874

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

Description: The molecule is the tetrahydrate of the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used 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 a hydrate and a one-carbon compound. It contains a clodronic acid disodium salt.

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

SELFIES: [O].[O].[O].[O].[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.4H2O/c2-1(3,10(4,5)6)11(7,8)9;;;;;;/h(H2,4,5,6)(H2,7,8,9);;;4*1H2/q;2*+1;;;;/p-2

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: nan