(-)-Omeprazole
C17H19N3O3S
119141-88-7 Copyright (C) 2024 ACS
 24 26  0  0  1  0  0  0  0  0999 V2000
    8.0022    2.3101    0.0000 S   0  0  1  0  0  4  0  0  0  0  0  0
    6.6685    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6233    4.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3934    6.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0032    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7428    2.4536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3133    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4969    4.6116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732    6.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0833    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3133    6.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
119141-88-7

> <cas.index.name>
1H-Benzimidazole, 6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-

> <molecular.formula>
C17H19N3O3S

> <molecular.weight>
345.42

> <boiling.point.predicted>
599.991±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.371±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.806±0.10    Most Acidic Temp: 25 °C

$$$$
