Catalog Number:
AG002IW5
Chemical Name:
Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, trisodium, hydrate (9CI)
CAS Number:
207226-35-5
Molecular Formula:
C14H20CaN3Na3O11
Molecular Weight:
515.3694
MDL Number:
MFCD00150947
IUPAC Name:
calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;hydrate
InChI:
InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
InChI Key:
AWBWYUNJDQLQGT-UHFFFAOYSA-I
SMILES:
[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Ca+2]
EC Number:
606-611-4
