medrysone   Click here for help

GtoPdb Ligand ID: 7086

Synonyms: U-8471
Approved drug Immunopharmacology Ligand
medrysone is an approved drug
Comment: Medrysone is a corticosteroid.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.37
Molecular weight 344.24
XLogP 3.25
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2C(=O)C)C)C
Isomeric SMILES O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
InChI InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2039 medrysone
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 2668-66-8
ChEMBL Ligand CHEMBL1201173
DrugBank Ligand DB00253
DrugCentral Ligand 1662
GtoPdb PubChem SID 178103664
PubChem CID 247839
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UniChem Compound Search for chemical match using the InChIKey GZENKSODFLBBHQ-ILSZZQPISA-N
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Wikipedia Medrysone