fludrocortisone   Click here for help

GtoPdb Ligand ID: 2873

Synonyms: 9α-Flourocortisol | Florinef®
Approved drug PDB Ligand
fludrocortisone is an approved drug (FDA (1955), UK (2015))
Compound class: Synthetic organic
Comment: Fludrocortisone is a synthetic mineralocorticoid drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 94.83
Molecular weight 380.2
XLogP 0.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F
Isomeric SMILES OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F
InChI 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
InChI Key AAXVEMMRQDVLJB-BULBTXNYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1955), UK (2015))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
460 fludrocortisone
Synonyms Click here for help
9α-Flourocortisol | Florinef®
Database Links Click here for help
CAS Registry No. 127-31-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1201388
DrugBank Ligand DB00687
GtoPdb PubChem SID 135650268
PubChem CID 31378
RCSB PDB Ligand ZK5
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Wikipedia Fludrocortisone