Cas no 326602-80-6 ((S)-(-)-Omeprazole)

(S)-(-)-Omeprazole structure
(S)-(-)-Omeprazole structure
Product Name:(S)-(-)-Omeprazole
CAS No:326602-80-6
MF:C17H19N3O3S
MW:345.416
CID:2196676
Update Time:2019-04-28

(S)-(-)-Omeprazole Chemical and Physical Properties

Names and Identifiers

    • (S)-(-)-Omeprazole
    • 6-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Computed Properties

  • Exact Mass: 345.114712
  • Monoisotopic Mass: 345.114712
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 453
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 96.3

Experimental Properties

  • PSA: 96.31000
  • LogP: 3.76540
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