Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

871 - Overview - Compound Synopsis

Synonyms
ESOMEPRAZOLE MAGNESIUMEsomeprazole
Nexium
Molecular Formula
C17H18MgN3O3S+
InChI
InChI=1S/C17H18N3O3S.Mg/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+2/t24-;/m0./s1
Smiles
COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
Cross References
UniChem553652
canSAR871
ChEMBLCHEMBL1200716
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 368.091380556092.148040643No


Compounds with the same scaffold


Image of compound ID: 871
Murko Scaffold Family: 2 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12


Compound Lineages


Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)


















Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)