Prednisolone 21-Pivalate

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

2 API Suppliers, 2 Listed Suppliers

DOSSIERs // Finished Dosage Formulations

2 Dossiers, 2 Europe

GLOBAL SALES INFORMATION

1 Finished Drug Prices

1 Finished Drug Prices

MARKET PLACE

1 APIs

1 APIs

ANALYTICAL SOLUTION(s)

1 BioAnalytical Methods

1 BioAnalytical Methods

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 1107-99-9, Mecortolon, Prednisolone 21-pivalate, Prednisolone 21-trimethylacetate, Prednisolone trimethylacetate, 24w6s37nxu

Molecular Formula

C₂₆H₃₆O₆

Molecular Weight

444.6 g/mol

InChI Key

PHEOVVDXTQVHAZ-XDANTLIUSA-N

FDA UNII

24W6S37NXU

1 2D Structure

Prednisolone 21-Pivalate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

2.1.2 InChI

InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1

2.1.3 InChI Key

PHEOVVDXTQVHAZ-XDANTLIUSA-N

2.1.4 Canonical SMILES

CC12CC(C3C(C1CCC2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=CC34C)O

2.1.5 Isomeric SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O

2.2 Other Identifiers

2.2.1 UNII

24W6S37NXU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Mecortolon

2. Prednisolone 21-trimethylacetate

2.3.2 Depositor-Supplied Synonyms

1. 1107-99-9

2. Mecortolon

3. Prednisolone 21-pivalate

4. Prednisolone 21-trimethylacetate

5. Prednisolone Trimethylacetate

6. 24w6s37nxu

7. [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

8. Ultracorterenol

9. Ultracortenol

10. Vecortenol

11. Unii-24w6s37nxu

12. Einecs 214-172-1

13. Ultracortenol (tn)

14. Prednisolon-21-pivalat

15. Schembl140122

16. Dtxsid60149363

17. Bcp15089

18. Zinc3882060

19. Prednisolone Pivalate [mart.]

20. Akos015969755

21. Prednisolone Pivalate [who-dd]

22. Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-, 21-pivalate

23. Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-

24. Prednisolone Pivalate [ep Impurity]

25. Prednisolone Pivalate [ep Monograph]

26. D08412

27. 107p999

28. Q27253881

29. 11.beta.,17.alpha.-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl Pivalate

30. (11.beta.)-21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₆O₆
Molecular Weight	444.6 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	444.25118886 g/mol
Monoisotopic Mass	444.25118886 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	910
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1