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2D Structure
Also known as: Efical, 31377-05-6, 7y2lvu5ekk, Calcium;(2s)-5-oxopyrrolidine-2-carboxylate, Unii-7y2lvu5ekk, Einecs 250-602-4
Molecular Formula
C10H12CaN2O6
Molecular Weight
296.29  g/mol
InChI Key
YQFZERWESBDNRJ-QHTZZOMLSA-L
FDA UNII
7Y2LVU5EKK

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2S)-5-oxopyrrolidine-2-carboxylate
2.1.2 InChI
InChI=1S/2C5H7NO3.Ca/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1
2.1.3 InChI Key
YQFZERWESBDNRJ-QHTZZOMLSA-L
2.1.4 Canonical SMILES
C1CC(=O)NC1C(=O)[O-].C1CC(=O)NC1C(=O)[O-].[Ca+2]
2.1.5 Isomeric SMILES
C1CC(=O)N[C@@H]1C(=O)[O-].C1CC(=O)N[C@@H]1C(=O)[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
7Y2LVU5EKK
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Efical

2. Ibercal

3. Tepox Cal

2.3.2 Depositor-Supplied Synonyms

1. Efical

2. 31377-05-6

3. 7y2lvu5ekk

4. Calcium;(2s)-5-oxopyrrolidine-2-carboxylate

5. Unii-7y2lvu5ekk

6. Einecs 250-602-4

7. Ibercal (tn)

8. Calcidone

9. Calcium Pca

10. Calcium Oxoproline

11. L-calcium Pidolate

12. Calcium Pca [inci]

13. Calcium L-pyroglutamate

14. Schembl6687532

15. Calcium Pidolate [mart.]

16. Calcium Pidolate [who-dd]

17. Dtxsid501019893

18. 5-oxo-l-proline Calcium Salt

19. Pidolic Acid Calcium Salt (2:1)

20. D07605

21. L-proline, 5-oxo-, Calcium Salt (2:1)

22. L-pyrrolidone Carboxylic Acid, Calcium Salt

23. Proline, 5-oxo-, Calcium Salt (2:1), L-

24. Q27269001

2.4 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 296.29 g/mol
Molecular Formula C10H12CaN2O6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass296.0321270 g/mol
Monoisotopic Mass296.0321270 g/mol
Topological Polar Surface Area139 Ų
Heavy Atom Count19
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3