Basic information
- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
LQPLDXQVILYOOL-UHFFFAOYSA-I- Molecular formula
- C14H18N3Na5O10
- Average molar mass
- 503.26 g/mol
- Monoisotopic mass
- 503.0480652
Names & identifiers
- Preferred name
- Pentasodium Pentetate
- IUPAC
- pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Names & synonyms
140-01-2Pentasodium DTPAPENTASODIUM PENTETATEPentasodium diethylenetriaminepentaacetateTetralon BVersenex 80Diethylenetriaminepentaacetic acid pentasodium saltPlexene DSyntron CHamp-ex 80Trilon CPerma kleer 140
Show more names
Detarex pyKiresuto PChelest PDtpa pentasodium saltClewat DP 80Caswell No. 642BChel 330HSDB 5629
Database identifiers
- CAS
140-01-2- PubChem CID
- 8779
- DTXSID
DTXSID9027077- UNII
- 961TOZ5L7T
- EC Number
- 205-391-3
- Nikkaji
- J122.456E
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 454
Related reactions
7 records
Linked notes
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