Cas no 91524-16-2 (2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)-)

2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)- structure
91524-16-2 structure
Product Name:2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)-
CAS No:91524-16-2
MF:C26H50N8O7S2
MW:650.854603290558
CID:807165
PubChem ID:62933
Update Time:2025-04-19

2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)-
    • (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol,hydrate
    • Timolol hemihydrate
    • timolol.0.5H2O
    • NS00076385
    • (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydrate
    • 91524-16-2
    • (2S)-1-[(1,1-Dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol Hydrate (2:1); 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, hydrate (2:1), (S)-; 1,2,5-Thiadiazole, 2-propanol deriv.; Betimol; Timolol Hemihydrate
    • TIMOLOL [VANDF]
    • Timolol [USAN]
    • Timolol (USAN)
    • SCHEMBL345440
    • Betimol
    • (S)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol hemihydrate
    • (S)-timolol hemihydrate
    • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hemihydrate, (S)-
    • TIMOLOL HEMIHYDRATE [WHO-DD]
    • Q27128592
    • Betimol (TN)
    • CHEBI:60787
    • TIMOLOL [ORANGE BOOK]
    • DTXSID70238611
    • TIMOLOL [EMA EPAR]
    • 817W3C6175
    • D00378
    • (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol--water (2/1)
    • TIMOLOL HEMIHYDRATE [VANDF]
    • Inchi： 1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1
    • InChI Key： TWBNMYSKRDRHAT-RCWTXCDDSA-N
    • SMILES： S1N=C(C(=N1)N1CCOCC1)OC[C@H](CNC(C)(C)C)O.S1N=C(C(=N1)N1CCOCC1)OC[C@H](CNC(C)(C)C)O.O

Computed Properties

  • Exact Mass: 650.324
  • Monoisotopic Mass: 650.324
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 14
  • Complexity: 310
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 217A^2

Experimental Properties

  • Density: 1.224
  • Boiling Point: 487.2°Cat760mmHg
  • Flash Point: 248.5°C

2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)- Related Literature

91524-16-2 (2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,hydrate (2:1), (2S)-) Related Products

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