Gadopentetate Dimeglumine
TL;DR: Gadopentetate Dimeglumine (CAS 86050-77-3) is a chemical compound with molecular formula C28H54GdN5O20 and molecular weight 938.2603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
Also Known As: Magnevist, GADOPENTETATE DIMEGLUMINE, Gadolinium dtpa, gadopentetate, Resovist
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H54GdN5O20 |
| Molecular Weight | 938.2603 g/mol |
| XLogP | -13.41 |
| Topological Polar Surface Area (TPSA) | 431.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 938.2603 Da |
| Heavy Atoms | 54 |
| Complexity | 631.0 |
| Density | Osmolality at 37 °C = 1,960; Viscosity (cP) = 4.9 at 20 °C, 2.9 at 37 °C; Density = 1.195 at 25 °C; Specific gravity = 1.208 at 25 °C; LogPw = -5.4 at 25 °C and pH7 /Magnevist Injection/ |
| Solubility | Freely soluble in water |
| SMILES | CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | LGMLJQFQKXPRGA-VPVMAENOSA-K |
Product Description
Applications: Gadopentetate Dimeglumine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Gadopentetate Dimeglumine is a pharmaceutical intermediate identified by CAS number 86050-77-3 and the molecular formula C28H54GdN5O20 and a molecular weight of 938.26 g/mol. Physically, the compound has a density of Osmolality at 37 °C = 1,960; Viscosity (cP) = 4.9 at 20 °C, 2.9 at 37 °C; Density = 1.195 at 25 °C; Specific gravity = 1.208 at 25 °C; LogPw = -5.4 at 25 °C and pH7 /Magnevist Injection/ g/cm³, a solubility: Freely soluble in water. Synonyms include Magnevist and GADOPENTETATE DIMEGLUMINE.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Gadopentetate Dimeglumine
Property Insights of Gadopentetate Dimeglumine
The XLogP value of -13.41 indicates that Gadopentetate Dimeglumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 431.0 Ų indicates high polarity, suggesting Gadopentetate Dimeglumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadopentetate Dimeglumine has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gadopentetate Dimeglumine?
The CAS number of Gadopentetate Dimeglumine is 86050-77-3.
What is the molecular formula of Gadopentetate Dimeglumine?
The molecular formula of Gadopentetate Dimeglumine is C28H54GdN5O20.
What is the molecular weight of Gadopentetate Dimeglumine?
The molecular weight of Gadopentetate Dimeglumine is 938.2603 g/mol.
What are the applications of Gadopentetate Dimeglumine?
Gadopentetate Dimeglumine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Gadopentetate Dimeglumine?
You can request a quote for Gadopentetate Dimeglumine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadopentetate Dimeglumine?
Yes, CoreyChem provides custom synthesis services for Gadopentetate Dimeglumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.