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CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 Canada

1 FDF Dossiers
1 Canada

Synopsis

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Chemistry

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Also known as: 67859-51-2, Edta-zn-amm, 859e512

Molecular Formula

C₁₀H₂₂N₄O₈Zn

Molecular Weight

391.7 g/mol

InChI Key

WUSBFCIRVKLSSA-UHFFFAOYSA-N

1 2D Structure

WUSBFCIRVKLSSA-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;zinc

2.1.2 InChI

InChI=1S/C10H16N2O8.2H3N.Zn/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;

2.1.3 InChI Key

WUSBFCIRVKLSSA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.[Zn]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 67859-51-2

2. Edta-zn-amm

3. 859e512

2.3 Create Date

2015-11-11

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₂N₄O₈Zn
Molecular Weight	391.7 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	390.072905 g/mol
Monoisotopic Mass	390.072905 g/mol
Topological Polar Surface Area	158 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	357
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