Calcium Pidolate

Synopsis, Chemistry

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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

Calcium Pidolate

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 Formula	C₁₀H₁₂CaN₂O₆
Molecular Weight	296.29 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	296.0321270 g/mol
Monoisotopic Mass	296.0321270 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3