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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 FDF Dossiers, 1 Canada

1 FDF Dossiers
1 Canada

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 67989-88-2, Ethylenediaminetetraacetic acid diammonium copper salt solution, Ammonium [(ethylenedinitrilo)tetraacetato]cuprate(ii), X0v8v491v4, Dtxsid5049609, Cuprate(2-), ((n,n'-1,2-ethanediylbis(n-((carboxy-.kappa.o)methyl)glycinato-kappan,kappao))(4-))-, diammonium (1:2), (oc-6-21)-

Molecular Formula

C₁₀H₂₀CuN₄O₈

Molecular Weight

387.83 g/mol

InChI Key

QWQCKWBAUUOYMU-UHFFFAOYSA-L

FDA UNII

X0V8V491V4

1 2D Structure

Copper diammonium EDTA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diazanium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate

2.1.2 InChI

InChI=1S/C10H16N2O8.Cu.2H3N/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);;2*1H3/q;+2;;/p-2

2.1.3 InChI Key

QWQCKWBAUUOYMU-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[Cu+2]

2.2 Other Identifiers

2.2.1 UNII

X0V8V491V4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 67989-88-2

2. Ethylenediaminetetraacetic Acid Diammonium Copper Salt Solution

3. Ammonium [(ethylenedinitrilo)tetraacetato]cuprate(ii)

4. X0v8v491v4

5. Dtxsid5049609

6. Cuprate(2-), ((n,n'-1,2-ethanediylbis(n-((carboxy-.kappa.o)methyl)glycinato-kappan,kappao))(4-))-, Diammonium (1:2), (oc-6-21)-

7. Cuprate(2-), ((n,n'-1,2-ethanediylbis(n-((carboxy-kappao)methyl)glycinato-.kappa.n,.kappa.o))(4-))-, Diammonium, (oc-6-21)-

8. Ethylenediaminetetraacetic Acid Diammonium Copper Salt Solution, Volumetric, 0.025 M Edta-cu(nh4)2

2.4 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₀CuN₄O₈
Molecular Weight	387.83 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	387.057711 g/mol
Monoisotopic Mass	387.057711 g/mol
Topological Polar Surface Area	169 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4