Pentasodium pentetate

C14H18N3Na5O10CAS 140-01-2503.26 g/mol

Open in Covalent MOL file
O−ONNO−OO−ONO−OO−ONa+Na+Na+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C14H18N3Na5O10
Molar mass
503.26 g/mol
Exact mass
503.0481 Da
logP
-4.59Crippen estimate
Polar surface area
196.2 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
16

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
140-01-2
SMILES
[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

25 names · show all
  • Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, sodium salt (1:5)
  • Diethylenetriaminepentaacetic acid pentasodium salt
  • Anti cal 8
  • Dissolvine D 50
  • Pentasodium DPTA
  • Dissolvine D 40K
  • Versenex 80E
  • Pentetic acid pentasodium salt
  • Dissolvine D 40
  • Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt
  • Chel 330
  • Detarex PY
  • Sodium diethylenetriaminepentaacetate
  • Plexene D
  • Versenex 80
  • Perma kleer 140
  • Pentasodium diethylenetriaminepentaacetate
  • Syntron C
  • Chelest P
  • DTPA pentasodium salt
  • Hamp-ex 80
  • Trilon C
  • Clewat DP 80
  • Diethylenetriaminepentakis(acetic acid) pentasodium salt
  • Tetralon B

Work with Pentasodium pentetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pentetic acid67-43-6Free acid Gd-DTPA80529-93-7Salt Magnevist86050-77-3Salt

Similar compounds

Tetrasodium EDTA64-02-895 % similar Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-183 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-483 % similar Copper disodium EDTA14025-15-183 % similar Disodium zinc EDTA14025-21-983 % similar Magnesium disodium EDTA14402-88-183 % similar Disodium manganese EDTA15375-84-583 % similar Ferric sodium EDTA15708-41-583 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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