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2D Structure
Also known as: Fluocortin butyl ester, Vaspit, 41767-29-7, Sh k 203, Sh-k-203, 6n7oa9mo7o
Molecular Formula
C26H35FO5
Molecular Weight
446.6  g/mol
InChI Key
XWTIDFOGTCVGQB-FHIVUSPVSA-N
FDA UNII
6N7OA9MO7O

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
butyl 2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
2.1.2 InChI
InChI=1S/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3/t14-,16+,17+,19+,20+,21-,22-,25+,26+/m1/s1
2.1.3 InChI Key
XWTIDFOGTCVGQB-FHIVUSPVSA-N
2.1.4 Canonical SMILES
CCCCOC(=O)C(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)C
2.1.5 Isomeric SMILES
CCCCOC(=O)C(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C
2.2 Other Identifiers
2.2.1 UNII
6N7OA9MO7O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Fluocortin Butyl Ester

2. Fluocortinbutyl

3. Vaspit

2.3.2 Depositor-Supplied Synonyms

1. Fluocortin Butyl Ester

2. Vaspit

3. 41767-29-7

4. Sh K 203

5. Sh-k-203

6. 6n7oa9mo7o

7. Varlane

8. Shk-203

9. Butyl 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate

10. Fluocortin Butyl (usan)

11. Butyl 6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-oate

12. Fluocortin Butyl [usan]

13. Butyl6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-oate

14. Unii-6n7oa9mo7o

15. Fluocortinbutyl

16. Fluocortin Butyl [usan:ban]

17. Einecs 255-543-8

18. Schembl25218

19. Fluocortin Butyl [mi]

20. Chembl2105087

21. Dtxsid60194590

22. Fluocortin Butyl [mart.]

23. Chebi:135728

24. Fluocortin Butyl [who-dd]

25. Zinc4213352

26. 6-alpha-fluor-11-beta-hydroxy-16-alpha-methyl-3,20-dioxo-1,4-pregnadien-21-saure-butylester

27. Butyl 6-alpha-fluoro-11-beta-hydroxy-16-alpha-methyl-3,20-dioxo-1,4-pregnadien-21-oate

28. Hy-106567

29. Cs-0026066

30. D04217

31. Q27265191

32. Butyl 6.alpha.-fluoro-11.beta.-hydroxy-16.alpha.-methyl-3,20-dioxopregna-1,4-dien-21-oate

33. Pregna-1,4-dien-21-oic Acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, Butyl Ester (6.alpha.,11.beta.,16.alpha.)-

34. Pregna-1,4-dien-21-oic Acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, Butyl Ester (6alpha,11beta,16alpha)-

2.4 Create Date
2007-02-28
3 Chemical and Physical Properties
Molecular Weight 446.6 g/mol
Molecular Formula C26H35FO5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass446.24685237 g/mol
Monoisotopic Mass446.24685237 g/mol
Topological Polar Surface Area80.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity877
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Dermatologic Agents

Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)


Glucocorticoids

A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system. (See all compounds classified as Glucocorticoids.)