Glycine, N,N'-cyclohexanediylbis(N-(carboxymethyl)-, calcium sodium salt (1:1:2)

calcium;disodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate

Also Known As: digoxingenin bisdigitoxoside|Disodium calcium cyclohexanediaminetetraacetate|Cyclohexanediaminetetraacetic acid calcium disodium salt|Disodium calcium cyclohexanediaminetetraacetic acid|Calcium disodium cyclohexanediaminetetraaacetic acid|Glycine, N,N'-cyclohexanediylbis(N-(carboxymethyl)-, calcium sodium salt (1:1:2)|(1,2-Cyclohexylenedinitrilo)tetraacetic acid calcium disodium salt|Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-, calcium disodium salt|N,N'-Cyclohexanediylbis(N-(carboxymethyl)glycine) calcium sodium salt (1:1:2)|calcium sodium 2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetate(1:2:1)|Calcium sodium 2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetate (1/2/1)|calcium disodium 2-[[2-[bis(2-oxido-2-oxoethyl)amino]cyclohexyl]-(2-oxido-2-oxoethyl)amino]acetate|calcium,disodium,2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate

Molecular Formula	C14H18CaN2Na2O8
Molecular Weight	428.04843 g/mol
LogP	-12.4716
Topological Polar Surface Area	167.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	428.04843
Monoisotopic Mass	428.04843
Heavy Atoms	27
Complexity	397.0

Chemical Identifiers

CAS Number	53-98-5
SMILES	C1CCC(C(C1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
InChIKey	BVCYXLTWDJJMPM-UHFFFAOYSA-J