TIM
Summary
| Name: | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
| Synonyms: | Timolol maleate |
| Formula: | C13 H24 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 316.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2 |
| SMILES | CACTVS | 3.341 | CC(C)(C)NC[CH](O)COc1nsnc1N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NCC(COc1c(nsn1)N2CCOCC2)O |
| InChI | InChI | 1.03 | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | BLJRIMJGRPQVNF-JTQLQIEISA-N |
