rimexolone   Click here for help

GtoPdb Ligand ID: 7099

Synonyms: ORG-6216 | Vexol®
Approved drug Immunopharmacology Ligand
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
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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
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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
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1994))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4313 rimexolone
Synonyms Click here for help
ORG-6216 | Vexol®
Database Links Click here for help
CAS Registry No. 49697-38-3
ChEMBL Ligand CHEMBL1200617
DrugBank Ligand DB00896
DrugCentral Ligand 2384
GtoPdb PubChem SID 178103677
PubChem CID 5311412
Search Google for chemical match using the InChIKey QTTRZHGPGKRAFB-OOKHYKNYSA-N
Search Google for chemicals with the same backbone QTTRZHGPGKRAFB
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UniChem Compound Search for chemical match using the InChIKey QTTRZHGPGKRAFB-OOKHYKNYSA-N
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Wikipedia rimexolone