Molecule ID: 25419

IUPAC Name: [dichloro(phosphono)methyl]phosphonic acid

Description: The molecule 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 a bone density conservation agent and an antineoplastic 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-).

SMILES: O=P(O)(O)C(Cl)(Cl)P(=O)(O)O

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -2.1