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EDTA iron sodium

CAT: 0013-GTR19244962Size: 100 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244962Size:100 g
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Description
EDTA iron sodium is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
15708-41-5
Field of Research
Pharmacology & Drug Discovery
Smiles
[Na+].O=C1[O-][Fe+3]2345[O-]C (=O) C[N]5 (C1) CC[N]4 (CC (=O) [O-]2) CC (=O) [O-]3
Molecular Formula
C10H12FeN2NaO8
Molecular Weight
367.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium Feredetate

See also: Ferric cation (has active moiety) ... View More ...

CAS Number15708-41-5
PubChem CID27461
IUPAC Namesodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+)
Molecular FormulaC10H12FeN2NaO8
Molecular Weight367.05
Topological Polar Surface Area167
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity293
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]
InChI
InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4
InChIKey
MKWYFZFMAMBPQK-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Sodium Feredetate
CAS: 15708-41-5
CID: 27461
Formula: C10H12FeN2NaO8
MW: 367.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass366.984070
Monoisotopic Mass366.984070
Topological Polar Surface Area167 Ų
Heavy Atom Count22
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes