A1EA0
Summary
| Name: | (1~{R},4~{S})-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine |
| Synonyms: | Dasotraline |
| Formula: | C16 H15 Cl2 N |
| Formal charge: | 0 |
| Formula weight: | 292.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{S})-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1 |
| InChIKey | InChI | 1.06 | SRPXSILJHWNFMK-MEDUHNTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | N[CH]1CC[CH](c2ccc(Cl)c(Cl)c2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CCC2N)c3ccc(c(c3)Cl)Cl |
