AC1L4IBD
ethyl 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxylate;hydrobromide
Also Known As: 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide|3-Methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-carbonsaeure|Ethyl 2-(N-beta-D-glucopyranosyl)aminothiazole-4-carboxylate hydrobromide|N-[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl]hexopyranosylamine--hydrogen bromide (1/1)|ETHYL 2-[[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]AMINO]-1,3-THIAZOLE-4-CARBOXYLATE HYDROBROMIDE|ethyl 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxylate hydrobromide|N-[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl]-beta-D-glucopyranosylamine--hydrogen bromide (1/1)
| Molecular Formula | C12H19BrN2O7S |
|---|---|
| Molecular Weight | 414.00964 g/mol |
| LogP | -0.8905 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.00964 |
| Monoisotopic Mass | 414.00964 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 79936-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O.Br |
| InChIKey | QQEHCJNENAGMCM-SEAWRNJESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4IBD (CAS 79936-35-9), with molecular formula C12H19BrN2O7S and molecular weight 414.00964 g/mol. IUPAC: ethyl 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxylate;hydrobromide.
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