Esomeprazole sodium (USAN)

Properties Image MNX_ID MNXM155797 reference keggD:D04056 formula C17H18N3NaO3S global charge 0 mol weight 367.406 InChIKey RYXPMWYHEBGTRV-JIDHJSLPSA-N InChI InChI=1S/C17H18N3O3S.Na/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;+1/t24-;/m0./s1 SMILES COC1=CC2=C(C=C1)[N-]C([S@@](=O)CC1=C(C)C(OC)=C(C)C=N1)=N2.[Na+] MNX internals InChI (mnx) InChI=1/C17H18N3O3S.Na/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;+1/t24-;/m0./s1 SMILES (mnx) [CH3:1][C:10]1=[CH:8][N:18]=[C:15]([CH2:9][S@@:24]([C:17]2=[N:19][C:13]3=[C:14]([CH:7]=[C:12]([O:22][CH3:3])[CH:5]=[CH:6]3)[N-:20]2)=[O:21])[C:11]([CH3:2])=[C:16]1[O:23][CH3:4].[Na+:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0