R5F
Summary
| Name: | Rotigotine |
| Synonyms: | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol |
| Formula: | C19 H25 N O S |
| Formal charge: | 0 |
| Formula weight: | 315.473 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | KFQYTPMOWPVWEJ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(CCc1sccc1)[C@H]2CCc3c(O)cccc3C2 |
| SMILES | CACTVS | 3.385 | CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN(CCc1cccs1)C2CCc3c(cccc3O)C2 |
