Trusted Global CDMO Partner Delivering End-to-End Pharma Manufacturing & Development Solutions.

Virtual Booth

Contact Supplier

Nanjing Well is focused on R&D, production & sales of Pharmaceutical Excipients & Synthetic Lubricating base oils.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

7 API Suppliers, 1 USDMF, 6 Listed Suppliers, $ API Reference Price

7 API Suppliers
1 USDMF
6 Listed Suppliers
$ API Reference Price

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

0INTERMEDIATES

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

API REF. PRICE (USD/KG)

$ 118

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Regulatory FDF Prices

API/FDF Prices: Book a Demo to
explore the features and consider
upgrading later

MARKET PLACE

API

FDF

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 51828-96-7, Calcium (s)-3-methyl-2-oxopentanoate, Alpha-keto-isoleucine calcium salt, Calcium;(3s)-3-methyl-2-oxopentanoate, 85rj2n890t, Unii-85rj2n890t

Molecular Formula

C₁₂H₁₈CaO₆

Molecular Weight

298.35 g/mol

InChI Key

PTFSVYLXDCGPFY-SCGRZTRASA-L

FDA UNII

85RJ2N890T

1 2D Structure

Calcium (S)-3-methyl-2-oxovalerate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;(3S)-3-methyl-2-oxopentanoate

2.1.2 InChI

InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1

2.1.3 InChI Key

PTFSVYLXDCGPFY-SCGRZTRASA-L

2.2 Other Identifiers

2.2.1 UNII

85RJ2N890T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 51828-96-7

2. Calcium (s)-3-methyl-2-oxopentanoate

3. Alpha-keto-isoleucine Calcium Salt

4. Calcium;(3s)-3-methyl-2-oxopentanoate

5. 85rj2n890t

6. Unii-85rj2n890t

7. Einecs 257-458-1

8. Keto-isoleucine Calcium

9. Dtxsid20199788

10. Alpha-keto-isoleucine Calcium

11. Calcium(s)-3-methyl-2-oxopentanoate

12. (3s)-calcium 3-methyl-2-oxo-pentanoate

13. .alpha.-keto-isoleucine Calcium Salt

14. Ns00088612

15. Alpha-keto-isoleucine Calcium [who-dd]

16. Calcium 3-methyl-2-oxovalerate, (3s)-

17. Calcium 3-methyl-2-oxo-pentanoate, (3s)-

18. Q27269667

19. Pentanoic Acid, 3-methyl-2-oxo-, Calcium Salt, (s)-

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈CaO₆
Molecular Weight	298.35 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	114
Heavy Atom Count	19
Formal Charge	0
Complexity	123
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