Edetate calcium disodium (USP)

Properties Image MNX_ID MNXM103411 reference keggD:D03943 formula C10H14CaN2Na2O9 global charge 0 mol weight 392.285 InChIKey JHECKPXUCKQCSH-UHFFFAOYSA-J InChI InChI=1S/C10H16N2O8.Ca.2Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;1H2/q;+2;2*+1;/p-4 SMILES O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+] MNX internals InChI (mnx) InChI=1/C10H16N2O8.Ca.2Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;1H2/q;+2;2*+1; SMILES (mnx) [CH2:1]([CH2:2][N:12]([CH2:5][C:9](=[O:17])[OH:18])[CH2:6][C:10](=[O:19])[OH:20])[N:11]([CH2:3][C:7](=[O:13])[OH:14])[CH2:4][C:8](=[O:15])[OH:16].[Ca+2:21].[Na+:22].[Na+:23].[OH2:24]

Parent-child relations graph

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