| PDB CCD ID: | 7R3 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C23 H27 Cl O7 |
| InChI: | InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1 |
| InChIKey: | OBWASQILIWPZMG-QZMOQZSNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2ccc(Cl)c(Cc3ccc(O[CH]4CCOC4)cc3)c2 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1Cc2cc(ccc2Cl)C3C(C(C(C(O3)CO)O)O)O)OC4CCOC4 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4 | | CACTVS 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2 |
|
| Name: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
Empagliflozin |
| ChEMBL: | CHEMBL2107830 |
| DrugBank: | DB09038 |
| ZINC: | ZINC000036520252 |
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