| PDB CCD ID: | YNT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H18 Cl N O2 |
| InChI: | InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1 |
| InChIKey: | RCOBKSKAZMVBHT-TVQRCGJNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O | | CACTVS 3.385 | C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2 | | CACTVS 3.385 | C[C@@H]1NC(C)(C)CO[C@@]1(O)c2cccc(Cl)c2 | | OpenEye OEToolkits 2.0.7 | CC1C(OCC(N1)(C)C)(c2cccc(c2)Cl)O |
|
| Name: | (2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol;
Radafaxine |
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