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| IUPAC Name: | 4-cyano-N-(diaminomethylidene)-1-benzothiophene-2-carboxamidemethanesulfonic acid |
| Description: | Na+/H+ Exchanger Isoform-1 Inhibitor is compound which inhibits NHE-1-mediated pH recovery after acidosis, which has been shown to have cardioprotective effects. |
| Molecular Weight: | 244.27 + (96.11) |
| Molecular Formula: | C11H8N4OS·CH4O3S |
| Canonical SMILES: | CS(=O)(=O)O.C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)C#N |
| InChI: | InChI=1S/C11H8N4OS.CH4O3S/c12-5-6-2-1-3-8-7(6)4-9(17-8)10(16)15-11(13)141-5(2,3)4/h1-4H,(H4,13,14,15,16)1H3,(H,2,3,4) |
| InChI Key: | KOLQULVVHOAMCW-UHFFFAOYSA-N |
| Melting Point: | >155°C (dec.) |
| Solubility: | Methanol (Slightly), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Lee, S., et. al. Bioorg. Med. Chem. Lett., 15, 2998 (2005). |
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