Structure Database (LMSD)

Common Name
Paramethasone acetate
Systematic Name
6α-fluoro-11β,17α,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione acetate
Synonyms
LM ID
LMST02030123
Formula
C24H31FO6
Exact Mass
Calculate m/z
434.210468
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
[Clinical observations on the treatment of rheumatic diseases with 6-alpha-fluoro-16-alpha-methylprednisolone (paramethasone acetate).],
Minerva Med, 1963
Pubmed ID: 13958642

String Representations

InChiKey (Click to copy)
HYRKAAMZBDSJFJ-LFDBJOOHSA-N
InChi (Click to copy)
InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1
SMILES (Click to copy)
[C@]12([C@]([H])([C@H](C[C@]3(C)[C@@]([C@H](C)C[C@]31[H])(O)C(=O)COC(=O)C)O)[C@@]1(C)C=CC(=O)C=C1[C@@H](F)C2)[H]

Other Databases

Wikipedia
Paramethasone_acetate
KEGG ID
C12656
CHEBI ID
31963
PubChem CID
443928

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 419.93
Topological Polar Surface Area 100.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.47
Molar Refractivity 111.45

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Updated at
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