YNT
Summary
| Name: | Radafaxine |
| Synonyms: | (2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol |
| Formula: | C13 H18 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 255.741 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | RCOBKSKAZMVBHT-TVQRCGJNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1NC(C)(C)CO[C@@]1(O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(OCC(N1)(C)C)(c2cccc(c2)Cl)O |
