Y00
Summary
| Name: | DOBUTAMINE |
| Formula: | C18 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 301.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2 |
| SMILES | CACTVS | 3.352 | C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | JRWZLRBJNMZMFE-CYBMUJFWSA-N |
