Molecular Identity
Pentetate Calcium
calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate
PubChem CID: 17320
2D Structure
Properties
C14H21CaN3O10
Molecular Formula
431.41
Molecular Weight
g/mol
431.0853
Exact Mass
Da
202
TPSA
May have limited oral absorption
3
H-Bond Donors
13
H-Bond Acceptors
526
Complexity
SMILES
Canonical SMILES
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]Isomeric SMILES
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]Synonyms(19)
Calcium DTPADiethylenetriaminepentaacetic acid, calcium saltCalcium diethylene triamine pentaacetateCalcium diethylenetriaminepentaacetic acidW0655Y0HSJDTXSID50179957Pentetate calciumCalcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1)Pentetic Acid CalciumRefChem:1094561DTXCID10102448219-790-5Calcium DIPAcalcium;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetateEINECS 219-790-5
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pentetate Calcium
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