Eprosartan
C23H24N2O4S
133040-01-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.6264 7.3752 0.0 0
M  V30 2 C 6.5656 8.7380 0.0 0
M  V30 3 C 5.1010 9.2140 0.0 0
M  V30 4 C 3.9565 8.1834 0.0 0
M  V30 5 C 4.7809 10.7203 0.0 0
M  V30 6 O 3.3161 11.1962 0.0 0
M  V30 7 O 5.9253 11.7507 0.0 0
M  V30 8 C 9.2762 4.0432 0.0 0
M  V30 9 C 8.9560 2.5367 0.0 0
M  V30 10 C 10.1004 1.5063 0.0 0
M  V30 11 C 9.7803 0.0000 0.0 0
M  V30 12 C 14.9612 4.2951 0.0 0
M  V30 13 O 14.9612 2.7551 0.0 0
M  V30 14 O 16.2950 5.0652 0.0 0
M  V30 15 N 8.2927 6.6052 0.0 0
M  V30 16 C 6.8859 7.2317 0.0 0
M  V30 17 C 8.1318 5.0736 0.0 0
M  V30 18 C 5.8553 6.0871 0.0 0
M  V30 19 N 6.6254 4.7535 0.0 0
M  V30 20 C 10.9601 6.6052 0.0 0
M  V30 21 C 10.9601 5.0652 0.0 0
M  V30 22 C 12.2939 7.3752 0.0 0
M  V30 23 C 12.2939 4.2951 0.0 0
M  V30 24 C 13.6276 6.6052 0.0 0
M  V30 25 C 13.6276 5.0652 0.0 0
M  V30 26 C 2.4919 8.6593 0.0 0
M  V30 27 C 1.2460 7.7542 0.0 0
M  V30 28 S 2.0161 10.1240 0.0 0
M  V30 29 C 0.0000 8.6593 0.0 0
M  V30 30 C 0.4760 10.1240 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 15
M  V30 2 1 1 20
M  V30 3 2 2 3
M  V30 4 1 2 16
M  V30 5 1 3 4
M  V30 6 1 3 5
M  V30 7 1 4 26
M  V30 8 1 5 6
M  V30 9 2 5 7
M  V30 10 1 8 9
M  V30 11 1 8 17
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 12 13
M  V30 15 2 12 14
M  V30 16 1 12 25
M  V30 17 1 15 16
M  V30 18 1 15 17
M  V30 19 2 16 18
M  V30 20 2 17 19
M  V30 21 1 18 19
M  V30 22 2 20 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 24
M  V30 26 2 23 25
M  V30 27 1 24 25
M  V30 28 2 26 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 1 28 30
M  V30 32 2 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
133040-01-4

> <cas.index.name>
2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-

> <molecular.formula>
C23H24N2O4S

> <molecular.weight>
424.51

> <melting.point.experimental>
260-261 °C

> <boiling.point.predicted>
660.6±55.0 °C    Press: 760 Torr

> <density.predicted>
1.26±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.63±0.16    Most Acidic Temp: 25 °C

$$$$
