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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 7790-76-3, Calcium diphosphate, Dicalcium pyrophosphate, Calciumpyrophosphate, 10086-45-0, Dicalcium;phosphonato phosphate

Molecular Formula

Ca₂O₇P₂

Molecular Weight

254.10 g/mol

InChI Key

JUNWLZAGQLJVLR-UHFFFAOYSA-J

FDA UNII

X69NU20D19

An inorganic pyrophosphate which affects calcium metabolism in mammals. Abnormalities in its metabolism occur in some human diseases, notably HYPOPHOSPHATASIA and pseudogout (CHONDROCALCINOSIS).

1 2D Structure

Calcium Pyrophosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dicalcium;phosphonato phosphate

2.1.2 InChI

InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4

2.1.3 InChI Key

JUNWLZAGQLJVLR-UHFFFAOYSA-J

2.1.4 Canonical SMILES

[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

X69NU20D19

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Calcium Diphosphate

2. Calcium Pyrophosphate (1:1)

3. Calcium Pyrophosphate (1:2)

4. Calcium Pyrophosphate (2:1)

5. Calcium Pyrophosphate Dihydrate

6. Calcium Pyrophosphate, Monohydrate

7. Diphosphate, Calcium

8. Monohydrate Calcium Pyrophosphate

9. Pyrophosphate Dihydrate, Calcium

10. Pyrophosphate, Calcium

11. Pyrophosphate, Monohydrate Calcium

2.3.2 Depositor-Supplied Synonyms

1. 7790-76-3

2. Calcium Diphosphate

3. Dicalcium Pyrophosphate

4. Calciumpyrophosphate

5. 10086-45-0

6. Dicalcium;phosphonato Phosphate

7. Diphosphoric Acid, Calcium Salt (1:2)

8. Pyrophosphoric Acid, Calcium Salt (1:2)

9. 35405-51-7

10. X69nu20d19

11. Calcium Phosphono Dihydrogen Phosphate

12. Calcium Phosphate, Amorphous

13. 1264298-55-6

14. Mfcd00015983

15. Alpha-calcium Pyrophosphate

16. Unii-x69nu20d19

17. Calcium Phosphate (ca2p2o7)

18. Diphosphoric Acid, Calcium Salt

19. Hsdb 1435

20. Calcium Pyrophosphate (ca2p2o7)

21. Einecs 232-221-5

22. Calcium Phosphate (pyro)

23. Ca2p2o7

24. Ec 232-221-5

25. Chebi:32598

26. Dtxsid50872512

27. Calcium Pyrophosphate [ii]

28. Calcium Pyrophosphate [mi]

29. Calcium Pyrophosphate [fcc]

30. Diphosphoric Acid, Dicalcium

31. Calcium Pyrophosphate [hsdb]

32. Calcium Pyrophosphate [inci]

33. Dicalcium (phosphonatooxy)phosphonate

34. Calcium Pyrophosphate (99.95%-ca)

35. Akos015902785

36. Calcium Pyrophosphate [who-dd]

37. Diphosphoric Acid,calcium Salt (2:1)

38. Calcium Pyrophosphate, Tetrabasic (form I)

39. Calcium Pyrophosphate, Tetrabasic (form Ii)

40. Db-023014

41. Ft-0727361

42. Q4363460

43. Dicalcium Pyrophosphate, With A Fluorine Content Of Less Than 0,005 % By Weight On The Dry Anhydrous Product

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	Ca₂O₇P₂
Molecular Weight	254.10 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	253.8371080 g/mol
Monoisotopic Mass	253.8371080 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3