Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 Listed Suppliers

2 API Suppliers
2 Listed Suppliers

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

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: Methylhesperidin, 11013-97-1, (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, Chebi:81056, K324u7386b, Dsstox_cid_841

Molecular Formula

C₂₉H₃₆O₁₅

Molecular Weight

624.6 g/mol

InChI Key

GUMSHIGGVOJLBP-SLRPQMTOSA-N

FDA UNII

K324U7386B

methyl hesperidin is a natural product found in Plantago depressa with data available.

1 2D Structure

Methyl Hesperidin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

2.1.2 InChI

InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1

2.1.3 InChI Key

GUMSHIGGVOJLBP-SLRPQMTOSA-N

2.1.4 Canonical SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

K324U7386B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Methylhesperidin

2.3.2 Depositor-Supplied Synonyms

1. Methylhesperidin

2. 11013-97-1

3. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

4. Chebi:81056

5. K324u7386b

6. Dsstox_cid_841

7. Dsstox_rid_75821

8. Dsstox_gsid_20841

9. Methyl Hesperidine

10. Cas-11013-97-1

11. Ccris 4278

12. Mfcd01741310

13. Unii-k324u7386b

14. Chembl3184988

15. Dtxsid7020841

16. Methyl Hesperidin [inci]

17. Methyl Hesperidin [who-dd]

18. Tox21_202328

19. Tox21_302739

20. Zinc79216850

21. Akos015960520

22. Ncgc00249210-01

23. Ncgc00256545-01

24. Ncgc00259877-01

25. Ac-11572

26. C17393

27. A802151

28. Q27155011

29. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

30. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one;methyl-hesperidin

31. (2s)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

32. (s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)chroman-4-one

33. 28034-80-2

34. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, Monomethyl Ether, (2s)-

35. 4h-1-benzopyran-4-one, 7-((6-o-(6deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3,4-dimethoxyphenyl)-, (2s)-

36. 4h-1-benzopyran-4-one, 7-((6-o-(6deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, Monomethyl Ether, (2s)-

2.4 Create Date

2005-11-20

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₆O₁₅
Molecular Weight	624.6 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	624.20542044 g/mol
Monoisotopic Mass	624.20542044 g/mol
Topological Polar Surface Area	223 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	956
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1