Gd-Dota
Basic information
- CAS
92923-44-9- Standard SMILES
O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3].[Na+]- InChIKey
VIFBVOSDYUIKIK-UHFFFAOYSA-J- Molecular formula
- C16H24GdN4NaO8
- Average molar mass
- 580.62 g/mol
- Monoisotopic mass
- 581.07329
Names & identifiers
- Preferred name
- Gd-Dota
- IUPAC
- sodium;gadolinium(3+);2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Names & synonyms
Gadoterate sodium92923-44-9Gd-DotaGADOTERATE SODIUM [WHO-DD]GADOLINATE(1-), (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETATO(4-)-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10,.KAPPA.O1,.KAPPA.O4,.KAPPA.O7,.KAPPA.O10)-, SODIUM (1:1)Gadolinate(1-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7,kappaO10)-, sodiumGradolinate(1-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10)-, sodiumRefChem:639782Gadolinium 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid meglumineGADOLINATE(1-), (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETATO(4-)-KAPPAN1,KAPPAN4,KAPPAN7,KAPPAN10,KAPPAO1,KAPPAO4,KAPPAO7,KAPPAO10)-, SODIUM (1:1)Gadolinate(3-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)-, 1-deoxy-1-(methylamino)-D-glucitolsodium;gadolinium(3+);2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Show more names
99J2XUF1JTDTXSID10918889[1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7,kappaO10]-gadolinQ27272217Gadolinium sodium 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate (1/1/1)Gadolinium(III) sodium 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate
Database identifiers
- CAS
92923-44-9- PubChem CID
- 122152
- DTXSID
DTXSID10918889- UNII
- 99J2XUF1JT
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Human DrugsBreast Feeding; Lactation; Milk, Human; Contrast Media; Diagnostic Agents
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…