| PDB CCD ID: | LE6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H25 Cl O6 |
| InChI: | InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 |
| InChIKey: | JVHXJTBJCFBINQ-ADAARDCZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | | CACTVS 3.385 | CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1 | | CACTVS 3.385 | CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1 | | OpenEye OEToolkits 2.0.7 | CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3)CO)O)O)O |
|
| Name: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
Dapagliflozin |
| ChEMBL: | CHEMBL429910 |
| DrugBank: | DB06292 |
| ZINC: | ZINC000003819138 |
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