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2D Structure
Also known as: 7789-77-7, Calcium hydrogenphosphate dihydrate, Dicalcium phosphate dihydrate, Calcium monohydrogen phosphate dihydrate, 14567-92-1, Dibasic calcium phosphate dihydrate
Molecular Formula
CaH5O6P
Molecular Weight
172.09  g/mol
InChI Key
XAAHAAMILDNBPS-UHFFFAOYSA-L
FDA UNII
O7TSZ97GEP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;hydrogen phosphate;dihydrate
2.1.2 InChI
InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
2.1.3 InChI Key
XAAHAAMILDNBPS-UHFFFAOYSA-L
2.1.4 Canonical SMILES
O.O.OP(=O)([O-])[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
O7TSZ97GEP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Brushite

2. Calcium Monohydrogen Phosphate Dihydrate

3. Calcium Phosphate, Dibasic

4. Calcium Phosphate, Dibasic, Dihydrate

5. Calcium Phosphate, Dihydrate (1:1)

6. Dibasic Calcium Phosphate Dihydrate

7. Dicalcium Phosphate

8. Dicalcium Phosphate Anhydrous

9. Dicalcium Phosphate Dihydrate

2.3.2 Depositor-Supplied Synonyms

1. 7789-77-7

2. Calcium Hydrogenphosphate Dihydrate

3. Dicalcium Phosphate Dihydrate

4. Calcium Monohydrogen Phosphate Dihydrate

5. 14567-92-1

6. Dibasic Calcium Phosphate Dihydrate

7. Calcium Phosphate, Dibasic, Dihydrate

8. Calciumhydrogenphosphatedihydrate

9. D.c.p.

10. Calcium Phosphate Dibasic Dihydrate

11. Calcium;hydrogen Phosphate;dihydrate

12. Calcium Phosphate Dihydrate, Dibasic

13. O7tsz97gep

14. Phosphoric Acid, Calcium Salt (1:1), Dihydrate

15. Dibasic Calcium Phosphate Hydrate

16. Calcium Phosphate Dibasic, Hydrous

17. Calcium Phosphate, Dibasic, Hydrous

18. Brushite

19. Aksepillen

20. Eunova

21. Unii-o7tsz97gep

22. Brushite (ca(hpo4).2h2o)

23. Calcium-hydrogenphosphat-2-wasser

24. Calster (tn)

25. Cahpo4.2h2o

26. Calcium Phosphate Dihydrate, Dibasic [usp:jan]

27. Calcium Phosphate, Gel (aged)

28. Chebi:4496

29. Dibasic Calcium Phosphate (tn)

30. Dtxsid90872536

31. Mfcd00149621

32. Akos015855298

33. Db14481

34. Calcium Hydrogenphosphate Dihydrate,(s)

35. Calcium Hydrogenphosphate--water (1/2)

36. Calcium Hydrogenphosphate Dihydrate, 98%

37. Dibasic Calcium Phosphate Hydrate (jp17)

38. Dicalcium Phosphate Dihydrate [inci]

39. Calcium Phosphate Dihydrate [who-dd]

40. Calcium Phosphate, Dihydrate (1:1)

41. Calcium Phosphate, Dihydrate, Dibasic (usp)

42. Ft-0623398

43. D00937

44. Dibasic Calcium Phosphate Hydrate [jan]

45. Calcium Phosphate, Dibasic, Dihydrate [ii]

46. Calcium Hydrogen Phosphate Dehydrate [who-ip]

47. Calcii Hydrogenophosphas Dihydrate [who-ip Latin]

48. Calcium Hydrogen Phosphate Dihydrate [ep Monograph]

49. Calcium Hydrogenphosphate Dihydrate, P.a., 98.0-105.0%

50. Calcium Hydrogenphosphate Dihydrate, Vetec(tm) Reagent Grade

51. Calcium Phosphate Dihydrate, Dibasic [usp Impurity]

52. Dibasic Calcium Phosphate Dihydrate [usp Monograph]

53. Calcium Phosphate Dibasic Dihydrate, Puriss., Meets Analytical Specification Of Ph. Eur., Bp, Usp, 98-102.5%

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 172.09 g/mol
Molecular Formula CaH5O6P
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass171.9449657 g/mol
Monoisotopic Mass171.9449657 g/mol
Topological Polar Surface Area85.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
4 Drug and Medication Information
4.1 Drug Indication

For use as an over the counter calcium and phosphate supplement, antacid, or a source of calcium and phosphate in toothpaste.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Calcium phosphate reacts with acid in the stomach to raise the pH. In toothpaste it provides a source of calcium and phosphate ions to support remineralization of the teeth. As a supplement it provides a source of calcium and phospate, both of which are important ions in bone homeostasis.


5.2 Mechanism of Action

The phosphate ions in calcium phosphate likely react with hydrochloric acid in the stomach to neutralize the pH. In toothpaste and in systemic circulation, calcium phosphate provides a source of calcium and phosphate ions to support remineralization of the teeth and bone homeostasis respectively. The increase in plasma calcium reduces calcium flux from osteocyte activity by reducing the secretion of parathyroid hormone (PTH). Calcium does this by stimulating a G-protein coupled calcium receptor on the surface of parathyroid cells. The reduction in calcium flux increases the amount of calcium deposited in bone resulting in an increase in bone mineral density. The reduction in PTH secretion also reduces the amount of vitamin D metabolized to its active form, calcidiol. Since calcidiol increases the expression of calcium dependent ATPases and transient receptor potential cation channel subfamily V member 6 (TRPV6) both of which are involved in calcium uptake from the gut, a reduction in calcidiol results in less calcium absorption. Additionally, TRPV5, the channel responsible for calcium reabsorption in the kidney, is downregulated when PTH secretion is reduced thus increasing calcium excretion via the kidneys. Another hormone, calitonin, is likely involved in the reduction of bone resorption during periods of high plasma calcium.