Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

DEVELOPMENTS

4 Drugs in Development

4 Drugs in Development

DIGITAL CONTENT

4 NEWS #PharmaBuzz

media
4 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

4DRUGS 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: 1213269-98-7, Epi-743, Alpha-tocotrienol quinone, Epi 743, Alpha tocotrienol quinone, .alpha.-tocotrienol quinone

Molecular Formula

C₂₉H₄₄O₃

Molecular Weight

440.7 g/mol

InChI Key

LNOVHERIIMJMDG-XZXLULOTSA-N

FDA UNII

6O85FK9I0X

Vatiquinone has been investigated for the treatment and prevention of Retinopathy, Rett Syndrome, Genetic Disease, Noise-induced Hearing Loss, and Methylmalonic Aciduria and Homocystinuria,Cblc Type.

1 2D Structure

Vatiquinone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

2.1.2 InChI

InChI=1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

2.1.3 InChI Key

LNOVHERIIMJMDG-XZXLULOTSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C

2.1.5 Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C

2.2 Other Identifiers

2.2.1 UNII

6O85FK9I0X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-tocotrienol Quinone

2. Epi-743

2.3.2 Depositor-Supplied Synonyms

1. 1213269-98-7

2. Epi-743

3. Alpha-tocotrienol Quinone

4. Epi 743

5. Alpha Tocotrienol Quinone

6. .alpha.-tocotrienol Quinone

7. 6o85fk9i0x

8. 2,5-cyclohexadiene-1,4-dione, 2-((3r,6e,10e)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl)-3,5,6-trimethyl-

9. 2-((r,6e,10e)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

10. Vatiquinone [usan]

11. Vatiquinone [usan:inn]

12. Unii-6o85fk9i0x

13. Vatiquinone [inn]

14. Vatiquinone [jan]

15. Vatiquinone (jan/usan)

16. Schembl503125

17. (r)-alpha-tocotrienol Quinone

18. Chembl1812161

19. Schembl14639355

20. Dtxsid90153231

21. Bcp21072

22. Ex-a5566

23. Db11917

24. 2-[(3r,6e,10e)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

25. Hy-16772

26. Cs-0012384

27. D10407

28. A937320

29. Q27265220

30. Epi 743;epi743; Vatiquinone; Alpha-tocotrienol Quinone

31. 2-((3r,6e,10e)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

32. 2-[(3r,6e,10e)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dion

2.4 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₄O₃
Molecular Weight	440.7 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	440.32904526 g/mol
Monoisotopic Mass	440.32904526 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	857
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1