flunisolide   Click here for help

GtoPdb Ligand ID: 7076

Synonyms: AeroBid® | RS-3999
Approved drug Immunopharmacology Ligand
flunisolide is an approved drug (FDA (prior to1984))
Compound class: Synthetic organic
Comment: Flunisolide is a corticosteroid.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.06
Molecular weight 434.21
XLogP 1.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)C=CC21C)F)(C)C
Isomeric SMILES OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)(C)C
InChI InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChI Key XSFJVAJPIHIPKU-XWCQMRHXSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (prior to1984))
International Nonproprietary Names Click here for help
INN number INN
1131 flunisolide
Synonyms Click here for help
AeroBid® | RS-3999
Database Links Click here for help
CAS Registry No. 3385-03-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1512
DrugBank Ligand DB00180
DrugCentral Ligand 1201
GtoPdb PubChem SID 178103655
PubChem CID 82153
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Wikipedia Flunisolide