![(αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic Acid](https://resource.bocsci.com/structure/42399-48-4.gif)
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| IUPAC Name: | (2S,3S)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid |
| Description: | (αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic Acid is used in the synthesis of Diltiazem (D460620), a calcium channel blocher with vasodilating activity. Antianginal; antihypertensive; antiarrhythmic (class IV). |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C16H17NO4S |
| Canonical SMILES: | COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=CC=CC=C2N |
| InChI: | InChI=1S/C16H17NO4S/c1-21-11-8-6-10(7-9-11)15(14(18)16(19)20)22-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)/t14-,15+/m1/s1 |
| InChI Key: | KHQWPNQLSKDWAR-CABCVRRESA-N |
| References: | Gizur, T., et. al. J. Feur Praktische Chemie, 336, 628 (1994); Sato, et al. Arzneim.-Forsch., 21, 1338 (1971); Smirnov, S.R. Eur. J. Pharmacol., 360, 81 (1998); Hansson, L., et al. Lancet, 356, 359 (2000). |
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