A1EA1
Summary
| Name: | (1~{R},2~{R},3~{S},5~{S})-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane |
| Synonyms: | Tesofensine |
| Formula: | C17 H23 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 328.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R},3~{S},5~{S})-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1 |
| InChIKey | InChI | 1.06 | VCVWXKKWDOJNIT-ZOMKSWQUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1c3ccc(Cl)c(Cl)c3)N2C |
| SMILES | CACTVS | 3.385 | CCOC[CH]1[CH]2CC[CH](C[CH]1c3ccc(Cl)c(Cl)c3)N2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c3ccc(c(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOCC1C2CCC(N2C)CC1c3ccc(c(c3)Cl)Cl |
