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2D Structure
Also known as: Durapatite, 12167-74-7, Hydroxylapatite, Alveograf, Periograf, Calcium hydroxyapatite
Molecular Formula
Ca5HO13P3
Molecular Weight
502.3  g/mol
InChI Key
XYJRXVWERLGGKC-UHFFFAOYSA-D
FDA UNII
91D9GV0Z28

The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pentacalcium;hydroxide;triphosphate
2.1.2 InChI
InChI=1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
2.1.3 InChI Key
XYJRXVWERLGGKC-UHFFFAOYSA-D
2.1.4 Canonical SMILES
[OH-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
91D9GV0Z28
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Alveograf

2. Calcitite

3. Calcium Hydroxyapatite

4. Durapatite

5. Hydroxyapatite, Calcium

6. Hydroxylapatite

7. Interpore 200

8. Interpore 500

9. Interpore-200

10. Interpore-500

11. Interpore200

12. Interpore500

13. Osprovit

14. Ossein Hydroxyapatite Compound

15. Ossein-hydroxyapatite Compound

16. Ossopan

17. Osteogen

18. Periograf

2.3.2 Depositor-Supplied Synonyms

1. Durapatite

2. 12167-74-7

3. Hydroxylapatite

4. Alveograf

5. Periograf

6. Calcium Hydroxyapatite

7. Radiesse

8. Tribasic Calcium Phosphate

9. Durapatite [usan]

10. Calcium Hydroxide Phosphate

11. Win 40350

12. Calcium Hydroxylapatite

13. Calcium Hydroxide Tris(phosphate)

14. Pentacalcium;hydroxide;triphosphate

15. Hydroxylapatite, Ceramic

16. Ossopan

17. Calcium Phosphate, Tribasic [nf]

18. 91d9gv0z28

19. Durapatite (usan)

20. Mfcd00010904

21. Win-40350

22. Apatite, Hydroxy

23. Supertite 10

24. Calcium Phosphate, Tribasic (nf)

25. Pentacalcium Hydroxide Triphosphate

26. Hydroxylapatite (ca5(oh)(po4)3)

27. Calcium Orthophosphate, Basic

28. Hsdb 5804

29. Dekacalcium-dihydrat-hexa(phosphat)

30. Calcium Tribasic Phosphate

31. Einecs 215-145-7

32. Pentacalcium Monohydroxyorthophosphate

33. Pentacalcium Hydroxide Tris(orthophosphate)

34. Unii-91d9gv0z28

35. Hydroxyl Apatite

36. Alveograf (tn)

37. Decacalcium Hexaphosphate Dihydroxide

38. Einecs 235-330-6

39. Durapatite [mi]

40. Microcrystalline Hydroxyapatite Concentrate

41. Hydroxyapatite Nanopowder

42. Hydroxyapatite Micronpowder

43. Hydroxylapatite, Fast Flow

44. Calcarea Phosphorica

45. Ec 235-330-6

46. Hydroxyapatite Nanoparticles

47. Durapatite [who-dd]

48. Calcium Hydroxide Phosphate (ca10(oh)2(po4)6)

49. Hydroxyapatite [inci]

50. Hydroxyapatite [mart.]

51. Chembl2218916

52. Calcium Phosphate,tribasic

53. Calcium Orthophosphates Nanopowder

54. Dtxsid50872537

55. Hydroxylapatite, (ca 35-40%)

56. Calcarea Phosphorica [hpus]

57. Calcium Phosphate [who-ip]

58. Calcium Phosphate (tribasic)

59. Calcium Hydroxyapatite [inci]

60. Hydroxyapatite Nanoparticles Dispersion

61. Calcii Phosphas [who-ip Latin]

62. Tribasic Calcium Phosphate [ii]

63. Calcium Phosphate,tribasic [vandf]

64. Db-041626

65. Tribasic Calcium Phosphate [usp-rs]

66. Tribasic Calcium Phosphate [who-ip]

67. Ft-0630391

68. D03303

69. D03922

70. Calcium Phosphate Tribasic 34 To 40% Calcium Basis

71. J-004582

72. J-005837

73. Q27271399

74. Hydroxyapatite Nanoparticles, 5-10% (w/v) Aqueous Colloidal Dispersion, 20-50nm Particles

75. Pentacalcium Hydroxide Tris(orthophosphate), With A Fluorine Content Of Less Than 0,005 % By Weight On The Dry Anhydrous Product

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 502.3 g/mol
Molecular Formula Ca5HO13P3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count0
Exact Mass501.675955 g/mol
Monoisotopic Mass501.675955 g/mol
Topological Polar Surface Area260 Ų
Heavy Atom Count21
Formal Charge0
Complexity36.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count9
4 Drug and Medication Information
4.1 Therapeutic Uses

EXPT USE: WOMEN WITH PRIMARY BILIARY CIRRHOSIS MALABSORB CALCIUM, PHOSPHATE & VITAMIN D, & DEVELOP ACCELERATED CORTICAL BONE THINNING. HYDROXYAPATITE WAS ASSESSED FOR ITS VALUE IN THE TREATMENT OF CORTICAL BONE THINNING IN PRIMARY BILIARY CIRRHOSIS. CORTICAL BONE LOSS OCCURRED IN THE CONTROL GROUP. THE HYDROXYAPATITE GROUP SHOWED A SIGNIFICANT GAIN IN CORTICAL BONE THICKNESS.

PMID:6287835 EPSTEIN O ET AL; AM J CLIN NUTR 36 (3): 426 (1982)


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Biocompatible Materials

Synthetic or natural materials, other than DRUGS, that are used to replace or repair any body TISSUES or bodily function. (See all compounds classified as Biocompatible Materials.)


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
Calcium [CS]; Cations, Divalent [CS]; Increased Coagulation Factor Activity [PE]; Blood Coagulation Factor [EPC]