Clopidogrel
C16H16ClNO2S
113665-84-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.0011 3.8500 0.0 0 CFG=2
M  V30 2 C 4.0011 2.3100 0.0 0
M  V30 3 O 5.3347 1.5400 0.0 0
M  V30 4 O 2.6674 1.5400 0.0 0
M  V30 5 C 5.3347 0.0000 0.0 0
M  V30 6 Cl 1.3336 2.3100 0.0 0
M  V30 7 N 5.3347 4.6200 0.0 0
M  V30 8 C 6.6684 3.8500 0.0 0
M  V30 9 C 5.3347 6.1600 0.0 0
M  V30 10 C 8.0022 4.6200 0.0 0
M  V30 11 C 6.6684 6.9300 0.0 0
M  V30 12 C 8.0022 6.1600 0.0 0
M  V30 13 C 9.4667 4.1442 0.0 0
M  V30 14 S 9.4667 6.6359 0.0 0
M  V30 15 C 10.3720 5.3900 0.0 0
M  V30 16 C 2.6674 4.6200 0.0 0
M  V30 17 C 1.3336 3.8500 0.0 0
M  V30 18 C 2.6674 6.1600 0.0 0
M  V30 19 C 0.0000 4.6200 0.0 0
M  V30 20 C 1.3336 6.9300 0.0 0
M  V30 21 C 0.0000 6.1600 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 7 CFG=3
M  V30 3 1 1 16
M  V30 4 1 2 3
M  V30 5 2 2 4
M  V30 6 1 3 5
M  V30 7 1 6 17
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 2 10 12
M  V30 13 1 10 13
M  V30 14 1 11 12
M  V30 15 1 12 14
M  V30 16 2 13 15
M  V30 17 1 14 15
M  V30 18 2 16 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 2 18 20
M  V30 22 2 19 21
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 1)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
113665-84-2

> <cas.index.name>
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-

> <molecular.formula>
C16H16ClNO2S

> <molecular.weight>
321.82

> <melting.point.experimental>
130-140 °C

> <boiling.point.predicted>
423.7±45.0 °C    Press: 760 Torr

> <density.predicted>
1.317±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.56±0.20    Most Basic Temp: 25 °C

$$$$
