Basic information
- CAS
69267-58-9- Standard SMILES
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.Cl- InChIKey
APEJDIWDAXIRHL-PPHPATTJSA-N- Molecular formula
- C13H25ClN4O3S
- Average molar mass
- 352.88 g/mol
- Monoisotopic mass
- 352.1335895
Names & identifiers
- Preferred name
- 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hydrochloride, (S)-
- IUPAC
- (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydrochloride
Names & synonyms
69267-58-9Timolol hydrochloride2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hydrochloride, (S)-(2S)-1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-3-(tert-butylamino)propan-2-ol hydrochlorideTimolol HClSCHEMBL5539013DTXSID60219333APEJDIWDAXIRHL-PPHPATTJSA-N(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydrochloride(2S)-1-(tert-Butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol--hydrogen chloride (1/1)(S)-1-[(1,1-dimethylethyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol hydrochloride
Database identifiers
- CAS
69267-58-9- PubChem CID
- 155208
- DTXSID
DTXSID60219333
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 310
Related reactions
2 records
Compound notes
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