Gadopentetate Monomeglumine
TL;DR: Gadopentetate Monomeglumine (CAS 92923-57-4) is a chemical compound with molecular formula C21H37GdN4O15 and molecular weight 743.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Gadopentetate Monomeglumine, Meglumine gadopentetate, Meglumine gadopentetate (JAN), 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol, 2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(3+); (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
| Molecular Formula | C21H37GdN4O15 |
|---|---|
| Molecular Weight | 743.15 g/mol |
| LogP | -10.047 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Exact Mass | 743.14966 |
| Heavy Atoms | 41 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 92923-57-4 |
|---|---|
| SMILES | 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 | LZQIEMULHFPUQY-BMWGJIJESA-K |
Product Overview
Gadopentetate Monomeglumine (CAS 92923-57-4), with molecular formula C21H37GdN4O15 and molecular weight 743.15 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Gadopentetate Monomeglumine
Property Insights of Gadopentetate Monomeglumine
The XLogP value of -10.047 indicates that Gadopentetate Monomeglumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting Gadopentetate Monomeglumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadopentetate Monomeglumine has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadopentetate Monomeglumine?
The CAS number of Gadopentetate Monomeglumine is 92923-57-4.
What is the molecular formula of Gadopentetate Monomeglumine?
The molecular formula of Gadopentetate Monomeglumine is C21H37GdN4O15.
What is the molecular weight of Gadopentetate Monomeglumine?
The molecular weight of Gadopentetate Monomeglumine is 743.15 g/mol.
Where can I buy Gadopentetate Monomeglumine?
You can request a quote for Gadopentetate Monomeglumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadopentetate Monomeglumine?
Yes, KEHONG BIO provides custom synthesis services for Gadopentetate Monomeglumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.