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Reference substances

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IUPAC name:
Iron(3+) ion sodium 5-[bis(carboxylatomethyl)amino]-3-{[bis(carboxylatomethyl)amino]methoxy}pentanoate

Inventory

EC number:
235-627-0
EC name:
Sodium hydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
CAS number:
12389-75-2
CAS number:
12389-75-2
Synonyms
Names:
diethylenetriaminepentaacetic acid ferric-sodium complex
iron(3+) ion sodium 2-\\{[2-(\\{2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)ethyl](carboxymethyl)amino}acetate]
sodium hydrogen ferric diethylenetriaminepentaacetate
sodium hydrogen ferric dtpa
sodium; 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; iron(+3) cation

Molecular and structural information

Molecular formula:
C14-H18-Fe-N3-O10.H.Na
Molecular weight:
468.15
SMILES notation:
[Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC(=O)O)CC([O-])=O)CC([O-])=O

synonym: C([N@@](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C[N@@](CC(O)=O)CC(=O)[O-].[Fe+3].[Na+]
InChl:
InChI=1S/C14H23N3O10.Fe.Na/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);;/q;+3;+1/p-4
Structural formula:
Chemical structure

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