5FW
Summary
| Name: | ISOPRENALINE |
| Formula: | C11 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 211.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.352 | CC(C)NC[CH](O)c1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)NC[C@@H](c1ccc(c(c1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)NCC(c1ccc(c(c1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JWZZKOKVBUJMES-NSHDSACASA-N |
