Structure Database (LMSD)
Common Name
Fludrocortisone
Systematic Name
9α-fluoro-11β,17α,21-trihydroxy-pregn-4-ene-3,20-dione
Synonyms
3D model of Fludrocortisone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AAXVEMMRQDVLJB-BULBTXNYSA-N
InChi (Click to copy)
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(CC[C@]3(C)[C@@]1(F)[C@@H](O)C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)CO)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
A therapeutic assay of topically applied 9 alpha-fluorohydrocortisone acetate in selected dermatoses.,
J Invest Dermatol, 1955
J Invest Dermatol, 1955
Pubmed ID:
13233573
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
364.52
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.02
Molar Refractivity
97.52
Admin
Created at
-
Updated at
11th Dec 2023