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Edetate calcium disodium

CAT: 0013-GTR19217279-01Size: 1 gDry Ice: NoHazardous: No
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Description
Edetate calcium disodium, a chelating agent, is primarily used for the management of severe lead poisoning.
CAS Number
62-33-9
Product Name Alternative
EDTA calcium disodium
Purity
>98% (HPLC)
Smiles
[Na+].[Na+].[Ca++].[O-]C (=O) CN (CCN (CC ([O-]) =O) CC ([O-]) =O) CC ([O-]) =O
Molecular Formula
C10H12CaN2Na2O8
Molecular Weight
374.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Edetate Calcium Disodium Anhydrous

EDTA monocalcium diisodium salt is an organic calcium salt of EDTA diisodium. It is a chelating agent that is used for the treatment of lead poisoning. It has a role as a geroprotector, a chelator and an antidote. It contains an EDTA disodium salt (anhydrous).

CAS Number62-33-9
PubChem CID6093170
IUPAC Namecalcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Molecular FormulaC10H12CaN2Na2O8
Molecular Weight374.27
Topological Polar Surface Area167
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity293
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
InChI
InChI=1S/C10H16N2O8.Ca.2Na/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;+2;2*+1/p-4
InChIKey
SHWNNYZBHZIQQV-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Edetate Calcium Disodium Anhydrous
CAS: 62-33-9
CID: 6093170
Formula: C10H12CaN2Na2O8
MW: 374.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass374.0014948
Monoisotopic Mass374.0014948
Topological Polar Surface Area167 Ų
Heavy Atom Count23
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 Count4
Compound Is CanonicalizedYes

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