Structure Database (LMSD)
Common Name
Fludrocortisone acetate
Systematic Name
9α-fluoro-11β,17α,21-trihydroxy-pregn-4-en-3,20-dione 21-acetate
Synonyms
- 9alpha-fluoro Hydrocortisone Acetate
3D model of Fludrocortisone acetate
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)
SYWHXTATXSMDSB-GSLJADNHSA-N
InChi (Click to copy)
InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1(F)[C@@H](O)C[C@]1(C)[C@](O)(CC[C@@]21[H])C(=O)COC(=O)C
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
405.27
Topological Polar Surface Area
100.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.59
Molar Refractivity
107.06
Admin
Created at
-
Updated at
19th Sep 2023