68H
Summary
| Name: | SALBUTAMOL |
| Formula: | C13 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 239.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 |
| SMILES | CACTVS | 3.352 | CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)(C)NCC(c1ccc(c(c1)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | NDAUXUAQIAJITI-LBPRGKRZSA-N |
