Basic information
- CAS
122795-43-1- Standard SMILES
CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].O.[Gd+3]- InChIKey
XPCLDSMKWNNKOM-UHFFFAOYSA-K- Molecular formula
- C16H28GdN5O9
- Average molar mass
- 591.67 g/mol
- Monoisotopic mass
- 592.11281
Overview
See also: Gadodiamide (annotation moved to); Gadodiamide Hydrate (annotation moved to); Omniscan (annotation moved to).
Names & identifiers
- Preferred name
- Omniscan
- IUPAC
- 2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate
- English name
- Gadodiamide
- Molecular formula
- C16H26GdN5O8.H2O
- Molecular weight
- 591.673
Names & synonyms
122795-43-1Omniscan2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrateCAS-122795-43-1NCGC00182547-01NCGC00184996-01orb1685656SCHEMBL3175139GLXC-24161Tox21_112999Tox21_113000s1751
Show more names
Gadodiamide, >=99%Gadodiamide hydrateGadodiamide USP/EP/BPGadodiaMide(OMniscan)2-[bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate2-[bis[2-[[2-keto-2-(methylamino)ethyl]-(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate2-[bis[2-[[2-(methylamino)-2-oxo-ethyl]-(2-oxidanidyl-2-oxo-ethyl)amino]ethyl]amino]ethanoate5,8-Bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato]Gadolinium xhydrateGadolinium 5,8-bis(carboxylatomethyl)-2-[2-(methylamino)-2-oxoethyl]-10-oxo-2,5,8,11-tetraazadodecane-1-carboxylate hydrateGadolinium, aqua[5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)]-, hydrate
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- Solid
- color
- White to off-white
- Water Solubility
- 29.2 mg/mL · ≥ 29.2mg/mL in Water
- FDA UNII
- 0 RPE15QPL0 · 0RPE15QPL0
Chemistry & industry
Applications
Usesefers to the substance containing the water of coordination and multiple (x) waters of hydration.
Suppliers43 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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