Edetate monocalcium structure

Edetate monocalcium

calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate

CAS: 12264-18-5
Molecular Formula C10H14CaN2O8
Molecular Weight 330.3 g/mol
Topological Polar Surface Area 161.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 9
Exact Mass 330.0376
Heavy Atoms 21
Complexity 336.0

Chemical Identifiers

CAS Number 12264-18-5
SMILES C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ca+2]
InChIKey NVTRPRFAWJGJAJ-UHFFFAOYSA-L

📖 Product Overview

Edetate monocalcium (CAS: 12264-18-5) is a chemical compound with molecular formula C10H14CaN2O8 and molecular weight 330.3 g/mol. Its IUPAC systematic name is calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate. Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 9 Exact Mass 330.0376 Heavy Atoms 21 Complexity 336.0 InChI Key: NVTRPRFAWJGJAJ-UHFFFAOYSA-L. SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ca+2].

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