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
CAS Registry Number®
207226-35-5
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CAS 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, hydrateMolecular Formula
C14H18CaN3O10.xH2O.3NaCite this Page
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. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=207226-35-5 (retrieved ) (CAS RN: 207226-35-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
InChIKey=AWBWYUNJDQLQGT-UHFFFAOYSA-I
SMILES
C(C([O-])=O)[N]12[Ca+2]345([N](CC1)(CC(=O)[O-]3)CC(=O)[O-]4)[N](CC([O-])=O)(CC2)CC(=O)[O-]5.[Na+].O
Canonical SMILES
[Na+].O=C([O-])C[N]12CC(=O)[O-][Ca+2]3452[O-]C(=O)C[N]5(CC(=O)[O-]3)CC[N]4(CC(=O)[O-])CC1.O
Other Names for this Substance
- 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
