| PDB CCD ID: | TOR |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C12 H21 N O8 S |
| InChI: | InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 |
| InChIKey: | KJADKKWYZYXHBB-XBWDGYHZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C | | ACDLabs 10.04 | O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N | | CACTVS 3.341 | CC1(C)O[C@@H]2CO[C@@]3(CO[S](N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 | | OpenEye OEToolkits 1.5.0 | CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C | | CACTVS 3.341 | CC1(C)O[CH]2CO[C]3(CO[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1 |
|
| Name: | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate;
topiramate |
| ChEMBL: | CHEMBL220492 |
| DrugBank: | DB00273 |
| ZINC: | ZINC000095616603 |
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