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    Chemistry

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    Also known as: 7758-87-4, Tricalcium phosphate, Synthos, Calcium phosphate tribasic, Calcium orthophosphate, Tricalcium diphosphate
    Molecular Formula
    Ca3O8P2
    Molecular Weight
    310.18  g/mol
    InChI Key
    QORWJWZARLRLPR-UHFFFAOYSA-H
    FDA UNII
    K4C08XP666
    Calcium Phosphate
    Calcium Phosphate is the calcium salt of phosphoric acid with widely used applications. This agent can be used as a countermeasure for exposure to strontium and radium radionuclides. Upon oral uptake, calcium phosphate competes for and blocks the absorption of radium (Ra-226) and strontium (Sr-90) in the gastrointestinal (GI) tract.
    1 2D Structure

    Calcium Phosphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tricalcium;diphosphate
    2.1.2 InChI
    InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
    2.1.3 InChI Key
    QORWJWZARLRLPR-UHFFFAOYSA-H
    2.1.4 Canonical SMILES
    [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    K4C08XP666
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 7758-87-4

    2. Tricalcium Phosphate

    3. Synthos

    4. Calcium Phosphate Tribasic

    5. Calcium Orthophosphate

    6. Tricalcium Diphosphate

    7. Calcigenol Simple

    8. Beta-tcp

    9. Tricalcium Orthophosphate

    10. Beta-tricalcium Phosphate

    11. Calcium Tertiary Phosphate

    12. Tertiary Calcium Phosphate

    13. Phosphoric Acid, Calcium Salt (2:3)

    14. Fema No. 3081

    15. Calcium Phosphate (3:2)

    16. Tri-calcium Phosphate

    17. Tricalcium;diphosphate

    18. 10103-46-5

    19. Calciresorb;tcp

    20. Phosphoric Acid, Calcium Salt

    21. Tricalcium Bis(phosphate)

    22. Alpha-tricalcium Phosphate

    23. Ins No.341(iii)

    24. Chebi:9679

    25. Ins-341(iii)

    26. E-341(iii)

    27. K4c08xp666

    28. Synthograft

    29. Bonarka

    30. Cerasorb

    31. Osferion

    32. Natural Whitlockite

    33. Caswell No. 148

    34. Ceredex

    35. Multifos

    36. Ostram

    37. Vitoss

    38. Calciumphosphate

    39. Tricos

    40. Calipharm T

    41. Tricafos P

    42. 21063-37-6

    43. Tricalcium Bis(orthophosphate)

    44. Ccris 3668

    45. Hsdb 879

    46. Jax Tcp

    47. Calcium Phosphate (ca3(po4)2)

    48. Calcium Orthophosphate, Tri-(tert)

    49. Tricalcium Phosphate (ca3(po4)2)

    50. Einecs 231-840-8

    51. Einecs 233-283-6

    52. Unii-97z1wi3ndx

    53. Epa Pesticide Chemical Code 076401

    54. Posture (calcium Supplement)

    55. Bone Phosphate

    56. Phosphoric Acid Calcium(2+) Salt (2:3)

    57. Unii-k4c08xp666

    58. Ca3(po4)2

    59. Calcium-phosphate

    60. Alpha-tcp

    61. Calcium Phosphates

    62. Tricalciumphosphate

    63. Posture (tn)

    64. Hydroxyapatite Powder

    65. Mfcd00015984

    66. Calcigenol

    67. Calcium Phosphate Basic

    68. Beta Tricalcium Phosphate

    69. Ai3-25607

    70. Ec 231-840-8

    71. 97z1wi3ndx

    72. Chembl2106566

    73. Dtxsid1049803

    74. Calcium Phosphate [who-dd]

    75. Tricalcium Phosphate [fhfi]

    76. Tricalcium Phosphate [inci]

    77. Precipitated Calcium Phosphate

    78. Akos015833108

    79. Phosphoric Acid, Calcium Salt (1:?)

    80. Cx-0072

    81. Db11348

    82. Calcium Phosphate, Tribasic [mi]

    83. Tricalcium Bis(orthophosphate), With A Fluorine Content Of Less Than 0,005 % By Weight On The Dry Anhydrous Product

    84. Calcium Phosphate, Tribasic (ca.37% Ca)

    85. Calcium Phosphate, Tribasic [hsdb]

    86. Calcium Phosphate,anhydrous [vandf]

    87. C3736

    88. Cs-0013475

    89. Ft-0645103

    90. C08136

    91. D00938

    92. Q278387

    93. Calcium Phosphate, Reagent For Transient & Stable Dna Transfections

    94. Beta-tri-calcium Phosphate, >=95% Beta-phase Basis (unsintered Powder)

    95. Calcium Phosphate, Purum P.a., >=96.0% (calc. As Ca3(po4)2, Kt)

    96. Tricalcium Phosphate Hydrate, Nanopowder, <200 Nm Particle Size (bet)

    97. Alpha-tri-calcium Phosphate, Puriss. P.a., >=75% Alpha-phase Basis (sinterted Powder)

    98. Alpha-tri-calcium Phosphate, Reagent For Transient & Stable Dna Transfections

    99. Beta-tri-calcium Phosphate, Puriss. P.a., >=95% Beta-phase Basis (sintered Powder)

    100. Beta-tri-calcium Phosphate, Puriss. P.a., >=98% Beta-phase Basis (sintered Powder)

    101. Beta-tri-calcium Phosphate, Puriss. P.a., >=98% Beta-phase Basis (unsintered Powder)

    102. Calcium Phosphate (3:2) Mixture With Calcium Phosphate (1:1) [who-ip]

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 310.18 g/mol
    Molecular Formula Ca3O8P2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass309.7946135 g/mol
    Monoisotopic Mass309.7946135 g/mol
    Topological Polar Surface Area173 Ų
    Heavy Atom Count13
    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 Count5
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    ... CHIEFLY USED AS GASTRIC ANTACID ... VALUABLE SOURCE OF CALCIUM ION, ESPECIALLY WHEN IT IS DESIRED TO SUPPLY BOTH CALCIUM & PHOSPHORUS. /FORMER USE/

    Gilman, A. G., L. S. Goodman, and A. Gilman. (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 6th ed. New York: Macmillan Publishing Co., Inc. 1980., p. 1528

    ... /THIS/ ORALLY ADMIN CALCIUM ... /SALT/ CAN BE USED IN TREATMENT OF MILD & LATENT HYPOCALCEMIC TETANY & FOR MAINTENANCE THERAPY ... .

    American Medical Association, Council on Drugs. AMA Drug Evaluations. 2nd ed. Acton, Mass.: Publishing Sciences Group, Inc., 1973., p. 202

    AN EXCELLENT SOURCE OF BOTH CALCIUM AND PHOSPHORUS USEFUL IN SUPPLEMENTING CALCIUM INTAKE, AS, FOR EXAMPLE, DURING PREGNANCY & LACTATION, OR AS SOURCE OF CALCIUM IN DISEASES OF CALCIUM DEFICIENCY.

    Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 770

    Calcium replenisher

    Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 256

    For more Therapeutic Uses (Complete) data for TRICALCIUM PHOSPHATE (6 total), please visit the HSDB record page.

    4.2 Drug Warning

    ... CONTRAINDICATED IN TREATMENT OF HYPOCALCEMIA WITH HYPERPHOSPHATEMIA, WHICH MAY OCCUR IN HYPOPARATHYROIDISM AND RENAL FAILURE.

    American Medical Association, Council on Drugs. AMA Drug Evaluations. 2nd ed. Acton, Mass.: Publishing Sciences Group, Inc., 1973., p. 201

    Ceramic implant materials, including tricalcium phosphate, are biocompatible and are currently being used to restore alveolar bone loss resulting from periodontal disease, endodontic infections, and residual alveolar ridge resorption. However, use of such a material in this case led to persistent infection and additional bone destruction. Thus, the use of a ceramic implant material to accelerate periapical bone repair is not recommended in areas where a chronic bacterial infection is present.

    PMID:3457349 Barkhordar RA, Meyer JR; Oral Surg Oral Med Oral Pathol 61 (2): 201-6 (1986)

    4.3 Drug Indication

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

    FDA Label

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

    A - Alimentary tract and metabolism

    A12 - Mineral supplements

    A12A - Calcium

    A12AA - Calcium

    A12AA01 - Calcium phosphate

    5.4 Absorption, Distribution and Excretion

    /Ortho/ phosphate is absorbed from, and to a limited extent secreted into, the gastrointestinal tract. Transport of phosphate from the gut lumen is an active, energy-dependent process that is modified by several factors. ... Vitamin D stimulates phosphate absorption, an effect reported to precede its action on calcium ion transport. In adults, about two thirds of the ingested phosphate is absorbed, and that which is absorbed is almost entirely excreted into the urine. In growing children, phosphate balance is positive. Concentrations of phosphate in plasma are higher in children than in adults. This "hyperphosphatemia" decreases the affinity of hemoglobin for oxygen and is hypothesized to explain the physiological "anemia" of childhood. /Phosphates/

    Hardman, J.G., L.E. Limbird, P.B. Molinoff, R.W. Ruddon, A.G. Goodman (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 9th ed. New York, NY: McGraw-Hill, 1996., p. 1524

    5.5 Metabolism/Metabolites

    A defect in phosphate metabolism occurs in a variety of diseases. ... Rickets ... Osteomalacia ... Primary or Secondary Hyperparathyroidism ... Chronic Renal Failure. /Phosphates/

    Hardman, J.G., L.E. Limbird, P.B. Molinoff, R.W. Ruddon, A.G. Goodman (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 9th ed. New York, NY: McGraw-Hill, 1996., p. 1525

    5.6 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.

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