etodolac   

GtoPdb Ligand ID: 7185

Synonyms: AY-24236 | Lodine®
etodolac is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Etodolac is a nonsteroidal anti-inflammatory drug (NSAID).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 62.32
Molecular weight 287.15
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Isomeric SMILES CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
InChI Key NNYBQONXHNTVIJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1991))
IUPAC Name
2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid
International Nonproprietary Names
INN number INN
3715 etodolac
Synonyms
AY-24236 | Lodine®
Database Links
CAS Registry No. 41340-25-4
ChEMBL Ligand CHEMBL622
DrugBank Ligand DB00749
DrugCentral Ligand 1103
GtoPdb PubChem SID 178103760
PubChem CID 3308
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Etodolac
Cat. No. 3871