![9-[(4-Carboxy-2,6-dimethylphenoxy)carbonyl]-10-(3-sulfopropyl)acridinium Inner Salt (>90%)](https://resource.bocsci.com/structure/946423-58-1.gif)
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| IUPAC Name: | 3-[9-(4-carboxy-2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonate |
| Description: | 9-[(4-Carboxy-2,6-dimethylphenoxy)carbonyl]-10-(3-sulfopropyl)acridinium Inner Salt is an intermediate in synthesis of hydrophilic chemiluminescent acridinium esters containing N-sulfopropyl groups are extremely useful labels in the clinical diagnostics industry especialy in automated immunochemical analyzers such as Siemens Healthcare Diagnostics' ADVIA Centaur systems. |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C26H23NO7S |
| Canonical SMILES: | CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)O |
| InChI: | InChI=1S/C26H23NO7S/c1-16-14-18(25(28)29)15-17(2)24(16)34-26(30)23-19-8-3-5-10-21(19)27(12-7-13-35(31,32)33)22-11-6-4-9-20(22)23/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H-,28,29,31,32,33) |
| InChI Key: | LYZOYMNCZXPQKP-UHFFFAOYSA-N |
| Melting Point: | >207°C (dec.) |
| Solubility: | DMSO (Slightly) |
| Appearance: | Yellow to Dark Yellow Solid |
| Storage: | -20°C, Inert atmosphere, Light sensitive |
| References: | Bolt, H., et al. Toxicol. Lett., 151, 251 (2004), Malhotra, S., et al. Bioorg. Med. Chem. Lett., 20, 581 (2010), Natrajan, A., et al. Anal. Biochem., 406, 204 (2010),. |
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