ALE
Summary
| Name: | L-EPINEPHRINE |
| Synonyms: | ADRENALINE |
| Formula: | C9 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 183.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)C(O)CNC |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | UCTWMZQNUQWSLP-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC[C@H](O)c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | CNC[CH](O)c1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC[C@@H](c1ccc(c(c1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCC(c1ccc(c(c1)O)O)O |
