rimexolone   

GtoPdb Ligand ID: 7099

Synonyms: ORG-6216 | Vexol®
rimexolone is an approved drug (FDA (1994))
Comment: Rimexolone is a corticosteroid.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.37
Molecular weight 370.25
XLogP 4.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(=O)C1(C)C(C)CC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C
Isomeric SMILES CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
InChI InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1
InChI Key QTTRZHGPGKRAFB-OOKHYKNYSA-N
Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1994))
IUPAC Name
(8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
4313 rimexolone
Synonyms
ORG-6216 | Vexol®
Database Links
CAS Registry No. 49697-38-3
ChEMBL Ligand CHEMBL1200617
DrugBank Ligand DB00896
DrugCentral Ligand 2384
GtoPdb PubChem SID 178103677
PubChem CID 5311412
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Wikipedia rimexolone