levothyroxine sodium hydrate

Properties Image MNX_ID MNXM1129924 reference chebi:6447 formula C15H12I4NNaO5 global charge 0 mol weight 816.869 InChIKey ANMYAHDLKVNJJO-LTCKWSDVSA-M InChI InChI=1S/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/p-1/t12-;;/m0../s1 SMILES N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(=O)[O-].O.[Na+] MNX internals InChI (mnx) InChI=1/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/t12-;;/m0../s1 SMILES (mnx) [CH:1]1=[C:6]([CH2:3][C@@H:12]([C:15](=[O:22])[OH:23])[NH2:20])[CH:2]=[C:11]([I:19])[C:14]([O:24][C:7]2=[CH:4][C:8]([I:16])=[C:13]([OH:21])[C:9]([I:17])=[CH:5]2)=[C:10]1[I:18].[Na+:25].[OH2:26]

Parent-child relations graph

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