DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

6 API Suppliers, 2 USDMF, 4 Listed Suppliers, $ API Reference Price

6 API Suppliers
2 USDMF
4 Listed Suppliers
$ API Reference Price

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 268

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 51828-94-5, Calcium alpha-ketovaline, 3-methyl-2-oxobutyric acid calcium salt, Calcium 3-methyl-2-oxobutyrate, Calcium 3-methyl-2-oxobutyrate (1:2), Calcium;3-methyl-2-oxobutanoate

Molecular Formula

C₁₀H₁₄CaO₆

Molecular Weight

270.29 g/mol

InChI Key

IMZGMVJQWNJKCI-UHFFFAOYSA-L

FDA UNII

00T4085CBX

1 2D Structure

Alpha-Ketovaline Calcium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;3-methyl-2-oxobutanoate

2.1.2 InChI

InChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2

2.1.3 InChI Key

IMZGMVJQWNJKCI-UHFFFAOYSA-L

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

00T4085CBX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 51828-94-5

2. Calcium Alpha-ketovaline

3. 3-methyl-2-oxobutyric Acid Calcium Salt

4. Calcium 3-methyl-2-oxobutyrate

5. Calcium 3-methyl-2-oxobutyrate (1:2)

6. Calcium;3-methyl-2-oxobutanoate

7. 00t4085cbx

8. Butanoic Acid, 3-methyl-2-oxo-, Calcium Salt

9. Unii-00t4085cbx

10. Einecs 257-456-0

11. 3-methyl-2-oxobuttersaeure Calciumsalz

12. Calcium3-methyl-2-oxobutanoate

13. Schembl7647464

14. Dtxsid60199787

15. Act02996

16. Calcium Bis(3-methyl-2-oxobutyrate)

17. Mfcd00002580

18. Alpha-ketoisovaleric Acid Calcium Salt

19. Calcium Bis(3-methyl-2-oxobutanoate)

20. Akos015905595

21. Akos015965075

22. .alpha.-ketovaline Calcium Salt

23. Calcium .alpha.-ketoisovalerate

24. As-13158

25. Calcium 3-methyl-2-oxidanylidene-butanoate

26. Db-052033

27. Cs-0205398

28. Ft-0640031

29. K0021

30. E78993

31. (rs)-3-methyl-2-oxobutyric Acid Calcium

32. .alpha.-ketoisovaleric Acid Calcium Salt

33. A828803

34. W-105864

35. Q27231376

36. (rs)-3-methyl-2-oxobutyric Acid Calcium [who-dd]

37. Butanoic Acid, 3-methyl-2-oxo-, Calcium Salt (2:1)

2.4 Create Date

2006-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄CaO₆
Molecular Weight	270.29 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	270.0416290 g/mol
Monoisotopic Mass	270.0416290 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	109
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