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

2238 - Overview - Compound Synopsis

Synonyms
MERETHOXYLLINE PROCAINEMerethoxylline Procaine
PROCAINE MERETHOXYLLINEProcaine Merethoxylline
Procaine merethoxylline
Molecular Formula
C28H41HgN3O9
InChI
InChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;/p-1
Smiles
CCN(CC)CCOC(=O)c1ccc(N)cc1.COCCOC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O
Cross References
UniChem528115
canSAR2238
ChEMBLCHEMBL1200443
Commercially Available
Unknown
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 765.2549228922.086951282No


Compounds with the same scaffold


Image of compound ID: 2238
Murko Scaffold Family: 483 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12