Pentetate Calcium

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

Also Known As: Calcium DTPA|Calcium DIPA|Pentetic acid|Pentetate calcium|Ca-DTPA|Pentetic Acid Calcium|Calcium diethylene triamine pentaacetate|Calcium diethylenetriaminepentaacetic acid|Diethylenetriaminepentaacetic acid, calcium salt|Calcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1)|GLYCINE, N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, CALCIUM SALT|calcium;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate|Calcium N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinate (1:1)|Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, calcium salt (1:1)|Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, calcium salt (1:1)|Calciate(3-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, trihydrogen|219-790-5|calcium [{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino]acetate|calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate

CAS: 2531-75-1

Molecular Formula	`C14H21CaN3O10`
Molecular Weight	431.0853 g/mol
LogP	-5.73
Topological Polar Surface Area	201.88 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	16
Exact Mass	431.0853
Heavy Atoms	28
Complexity	487.5

Chemical Identifiers

CAS Number	2531-75-1
SMILES	`C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]`
InChIKey	`BHRQIJRLOVHRKH-UHFFFAOYSA-L`

Product Overview

Pentetate Calcium (CAS 2531-75-1), with molecular formula C14H21CaN3O10 and molecular weight 431.0853 g/mol. IUPAC: calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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