Basic information
- CAS
20694-16-0- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3]- InChIKey
IZOOGPBRAOKZFK-UHFFFAOYSA-I- Molecular formula
- C14H18GdN3O10-2
- Average molar mass
- 545.56 g/mol
- Monoisotopic mass
- 546.02333
Overview
See also: Gadopentetate (preferred); Gadopentetate Dimeglumine (active moiety of); Gadolinium Cation (3+) (has active moiety).
Names & identifiers
- Preferred name
- 2-[Bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
- IUPAC
- 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Names & synonyms
MOLI000602MOLI000056MOLI000397NS000787522-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Database identifiers
- CAS
20694-16-0- PubChem CID
- 449677
- DTXSID
DTXSID801027609
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- -2
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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