Marvin  06071011072D          

 17 10  0  0  0  0            999 V2000
    4.5549   -5.4526    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2694   -5.8651    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5549   -4.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404   -5.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7611   -6.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259   -5.4526    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115   -5.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259   -4.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9024   -6.2521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2542   -6.5802    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -6.5802    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1669   -7.0274    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.6160   -6.9479    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.3856   -8.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -8.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -8.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166   -8.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  CHG  4   2  -1   9  -1  12   1  13   1
M  END
> <ID>
CHEBI:59587

> <NAME>
disodium clodronate tetrahydrate

> <DEFINITION>
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.

> <STAR>
3

> <SYNONYM>
disodium (dichloromethylene)disphosphonate tetrahydrate; clodronate disodium tetrahydrate; clodronate disodium

> <IUPAC_NAME>
disodium (dichloromethanediyl)bis[hydrogen (phosphonate)]--water (1/4)

> <FORMULA>
CH10Cl2Na2O10P2

> <MASS>
360.91700

> <MONOISOTOPIC_MASS>
359.89216

> <CHARGE>
0

> <SMILES>
O.O.O.O.[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O

> <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

> <INCHIKEY>
XWHPUCFOTRBMGS-UHFFFAOYSA-L

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