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Reference substances

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IUPAC name:
iron(3+) ino diammonium 2-[bis({2-[bis(carboxylatonethyl)amino] ethyl})amino]acetate

Inventory

EC number:
289-064-0
EC name:
Diammonium [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
CAS number:
85959-68-8
CAS number:
85959-68-8
Synonyms
Names:
Ferrate(2-), (rel-(N(R))-N-(2-(bis((carboxy-kappaO)methyl)amino- kappaN)ethyl)-N-(2-((S)-((carboxy-kappaO)methyl)(carboxymethyl)amino- kappaN)ethyl)glycinato(5-)-kappaN,kappaO)-, ammonium (1:2), (PB-7-13- 12564)-
Iron(3+) ion diammonium 5-[bis(carboxylatomethyl)amino]-3-{[bis(carboxylatomethyl)amino]methoxy}pentanoate
diazanium; 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; iron(+3) cation
Identifier:
IUPAC name
diammonium [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-) Iron diammonium DTPA iron(3+) ino diammonium 2-[bis({2-[bis(carboxylatonethyl)amino] ethyl})amino]acetate
Identifier:
other: SMILES notation
[Fe+3].[NH4+].N(CC([O-])=O)(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O.[NH4+] [Fe+3].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.[NH4+].[NH4+]
Identifier:
other: Molecular formula
C14H18FeN3O10.(NH4)2
Identifier:
other: Molecular formula
C14H18FeN3O10.2H4N
Identifier:
other: InChl
InChI=1/C14H23N3O10.Fe.2H3N/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);;2*1H3/q;+3;;/p-3
Identifier:
other: InChl
InChI=1/C14H23N3O10.Fe.2H3N/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);;2*1H3/q;+3;;/p-3
iron(3+) ino diammonium 2-[bis({2-[bis(carboxylatonethyl)amino] ethyl})amino]acetate

Molecular and structural information

Molecular formula:
C14H18FeN3O10.(NH4)2
Molecular weight:
480.229
SMILES notation:
[Fe+3].[NH4+].N(CC([O-])=O)(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O.[NH4+]
[Fe+3].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.[NH4+].[NH4+]
InChl:
InChI=1/C14H23N3O10.Fe.2H3N/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);;2*1H3/q;+3;;/p-3
Structural formula:
Chemical structure

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