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Edetate calcium disodium

CAT: 0931-T22321Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T22321Size:1 g
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CAS Number
62-33-9
Target
Others
Related Pathways
Others
Purity
0.9951
Bioactivity
Edetate calcium disodium (EDTA calcium disodium), a chelating agent, is primarily used for the management of severe lead poisoning.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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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