Also known as: 68399-76-8, 60388-02-5, 4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1), Zinc;2,4-dioxo-1h-pyrimidine-6-carboxylate, Orotic acid zinc salt dihydrate, Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)

Molecular Formula

C₁₀H₆N₄O₈Zn

Molecular Weight

375.6 g/mol

InChI Key

YNMDOZLVAPMCBD-UHFFFAOYSA-L

FDA UNII

Z722242H10

An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

zinc;2,4-dioxo-1H-pyrimidine-6-carboxylate

2.1.2 InChI

InChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2

2.1.3 InChI Key

YNMDOZLVAPMCBD-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Zn+2]

2.2 Other Identifiers

2.2.1 UNII

Z722242H10

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acid, Orotic

2. Orotate, Potassium

3. Orotate, Sodium

4. Orotate, Zinc

5. Orotic Acid

6. Potassium Orotate

7. Sodium Orotate

2.3.2 Depositor-Supplied Synonyms

1. 68399-76-8

2. 60388-02-5

3. 4-pyrimidinecarboxylic Acid, 1,2,3,6-tetrahydro-2,6-dioxo-, Zinc Salt (2:1)

4. Zinc;2,4-dioxo-1h-pyrimidine-6-carboxylate

5. Orotic Acid Zinc Salt Dihydrate

6. Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)

7. Z722242h10

8. Unii-z722242h10

9. Einecs 262-207-4

10. Einecs 269-988-0

11. Zinc Diorotate

12. Orotate Zinc

13. Zinc Orotate 17% 40m

14. Schembl231367

15. Zinc Orotate [who-dd]

16. Dtxsid8071481

17. Bis(1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylato-n3,o4)zinc

18. Mfcd00039121

19. Ft-0641183

20. Q27295098

21. 4-pyrimidinecarboxylic Acid, 1,2,3,6-tetrahydro-2,6-dioxo-, Zinc Complex

22. Zinc, Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-n3,o4)-, (t-4)-

23. Zinc,bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-kn3,ko4)-,(t-4)-

24. Zinc, Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-.kappa.n3,.kappa.o4)-, (t-4)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₆N₄O₈Zn
Molecular Weight	375.6 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	373.947705 g/mol
Monoisotopic Mass	373.947705 g/mol
Topological Polar Surface Area	197 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Zinc Orotate

Zinc Orotate

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