F1U
Summary
| Name: | (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol |
| Synonyms: | (s,s)-tramadol |
| Formula: | C16 H25 N O2 |
| Formal charge: | 0 |
| Formula weight: | 263.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | TVYLLZQTGLZFBW-GOEBONIOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@]2(O)CCCC[C@H]2CN(C)C |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CC1CCCCC1(c2cccc(c2)OC)O |
