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| IUPAC Name: | 2-(4-tert-butyl-2,6-dimethylphenyl)acetic acid |
| Description: | An impurity of Xylometazoline hydrochloride, a medication used for the temporary relief of nasal congestion due to cold, hay fever or other respiratory allergies. |
| Molecular Weight: | 220.31 |
| Molecular Formula: | C14H20O2 |
| Canonical SMILES: | CC1=CC(=CC(=C1CC(=O)O)C)C(C)(C)C |
| InChI: | InChI=1S/C14H20O2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H,15,16) |
| InChI Key: | FEGJTNSSKIPCOF-UHFFFAOYSA-N |
| Melting Point: | 162-164°C |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Off-white to Brown Solid |
| Storage: | Store at -20°C |
| References: | 1. Fliri, A. et al. J. Med. Chem. 2009 Dec 24;52(24):8038-46.2. Gohil, V. et al. Nat Biotechnol. 2010 Mar;28(3):249-55.. |
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