Gadoversetamide
2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
Also Known As: GADOVERSETAMIDE|Optimark|Gadoversetamida|Gadoversetamidum|Optimark (TN)|Optimark In Plastic Container|GADOVERSETAMIDE [MI]|GADOVERSETAMIDE [INN]|GADOVERSETAMIDE [JAN]|GADOVERSETAMIDE [HSDB]|GADOVERSETAMIDE [USAN]|Gadoversetamide [USAN:INN:BAN]|GADOVERSETAMIDE [VANDF]|GADOVERSETAMIDE [MART.]|GADOVERSETAMIDE [USP-RS]|GADOVERSETAMIDE [WHO-DD]|Gadoversetamide (JAN/USP/INN)|MRI contrast agent, Mallinckrodt|GADOVERSETAMIDE [EMA EPAR]|EX-A5524|MP-1177|GADOVERSETAMIDE [ORANGE BOOK]|GADOVERSETAMIDE [USP IMPURITY]|Gadoversetamide [USAN:USP:INN:BAN]|GADOVERSETAMIDE [USP MONOGRAPH]|SID:134223623|I06-2302
| Molecular Formula | C20H34GdN5O10 |
|---|---|
| Molecular Weight | 662.15466 g/mol |
| LogP | -7.3327 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Exact Mass | 662.15466 |
| Monoisotopic Mass | 662.15466 |
| Heavy Atoms | 36 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 131069-91-5 |
|---|---|
| SMILES | COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | HBEAOBRDTOXWRZ-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gadoversetamide (CAS 131069-91-5), with molecular formula C20H34GdN5O10 and molecular weight 662.15466 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+).
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