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Also known as: Calcium glucoheptonate (1:2), Calcium glucoheptonate, Calcii glucoheptonas, Glucoheptonato calcico, Glucoheptonate de calcium, 29039-00-7

Molecular Formula

C₁₄H₂₆CaO₁₆

Molecular Weight

490.42 g/mol

InChI Key

FATUQANACHZLRT-KMRXSBRUSA-L

Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly.

1 2D Structure

Calcium Gluceptate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate

2.1.2 InChI

InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1

2.1.3 InChI Key

FATUQANACHZLRT-KMRXSBRUSA-L

2.1.4 Canonical SMILES

C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]

2.1.5 Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Alpha-glucoheptonic Acid

2. Alpha-glucoheptonic Acid, Calcium Salt (2:1)

3. Alpha-glucoheptonic Acid, Calcium Salt (2:1), Heptahydrate

4. Alpha-glucoheptonic Acid, Magnesium Salt (2:1)

5. Alpha-glucoheptonic Acid, Potassium Salt

6. Alpha-glucoheptonic Acid, Sodium Salt

7. Calcium Glucoheptonate

8. Copper Glucoheptonate

9. Glucoheptonate

10. Glucoheptonic Acid

2.2.2 Depositor-Supplied Synonyms

1. Calcium Glucoheptonate (1:2)

2. Calcium Glucoheptonate

3. Calcii Glucoheptonas

4. Glucoheptonato Calcico

5. Glucoheptonate De Calcium

6. 29039-00-7

7. Calcium Gluceptate [usp]

8. Chebi:3314

9. Calcium (2xi)-d-gluco-heptonate

10. Glucoheptonate

11. Calcium Gluceptate (usp)

12. Calcium Bis[(2xi)-d-glycero-d-gulo-heptonate]

13. Calcium Bis[(2xi)-d-glycero-d-ido-heptonate]

14. Calcium Glucoheptonate (inn)

15. Calcium Glucoheptonate [inn]

16. Calcihept

17. Calcium;(3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate

18. Calcium Bis[(3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate]

19. Calcii Glucoheptonas [inn-latin]

20. Einecs 249-383-8

21. Glucoheptonato Calcico [inn-spanish]

22. Glucoheptonate De Calcium [inn-french]

23. Nsc-755885

24. Unii-l11651398j

25. Calcium Glucoheptone

26. Calcium Gluceptate (tn)

27. Calcii Glucoheptonas [latin]

28. Chembl1237066

29. Dtxsid30951637

30. Calcium Bis((2xi)-d-gluco-heptonate)

31. Db00326

32. Nsc 755885

33. Calcium (2xi)-d-gluco-heptonate (1:2)

34. L11651398j

35. D00934

36. Q5018826

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₆CaO₁₆
Molecular Weight	490.42 g/mol
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	10
Exact Mass	490.0846756 g/mol
Monoisotopic Mass	490.0846756 g/mol
Topological Polar Surface Area	323 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Drug and Medication Information

4.1 Drug Indication

For treatment of mild hypocalcemia due to neonatal tetany, tetany due to parathyroid deficiency or vitamin D deficiency, and alkalosis, as prophylaxis of hypocalcemia during exchange transfusions, in the treatment of intestinal malabsorption, and to replenish electrolytes.

5 Pharmacology and Biochemistry

5.1 Pharmacology

Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly. The bones serve as a storage site for the body's calcium. They are continuously giving up calcium to the bloodstream and then replacing it as the body's need for calcium changes from day to day. When there is not enough calcium in the blood to be used by the heart and other organs, your body will take the needed calcium from the bones. When you eat foods rich in calcium, the calcium will be restored to the bones and the balance between your blood and bones will be maintained.

5.2 ATC Code

A - Alimentary tract and metabolism

A12 - Mineral supplements

A12A - Calcium

A12AA - Calcium

A12AA10 - Calcium glucoheptonate

5.3 Absorption, Distribution and Excretion

Absorption

Rapidly absorbed following oral administration.

5.4 Mechanism of Action

Calcium gluceptate replenishes the deminished levels of calcium in the body, returning them to normal levels.