Vorapaxar sulfate
C29H33FN2O4.H2O4S
705260-08-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  45 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.3358 10.3506 0.0 0
M  V30 2 C 9.3358 11.8906 0.0 0
M  V30 3 C 10.6530 7.3304 0.0 0
M  V30 4 O 5.9581 4.6200 0.0 0
M  V30 5 N 2.6674 12.6606 0.0 0
M  V30 6 C 2.6674 14.2006 0.0 0
M  V30 7 O 1.3338 14.9706 0.0 0
M  V30 8 O 4.0011 14.9706 0.0 0
M  V30 9 C 1.3338 16.5106 0.0 0
M  V30 10 C 0.0000 17.2806 0.0 0
M  V30 11 F 16.0041 18.8206 0.0 0
M  V30 12 C 8.0021 9.5806 0.0 0 CFG=1
M  V30 13 C 8.0021 8.0406 0.0 0 CFG=2
M  V30 14 C 6.6685 10.3506 0.0 0 CFG=2
M  V30 15 C 6.6685 7.2706 0.0 0 CFG=2
M  V30 16 C 9.1465 7.0102 0.0 0 CFG=1
M  V30 17 C 5.3347 9.5806 0.0 0 CFG=1
M  V30 18 C 6.6685 11.8906 0.0 0
M  V30 19 C 5.3347 8.0406 0.0 0
M  V30 20 C 6.9887 5.7644 0.0 0
M  V30 21 O 8.5202 5.6034 0.0 0
M  V30 22 C 4.0011 10.3506 0.0 0
M  V30 23 C 5.3347 12.6606 0.0 0
M  V30 24 C 4.0011 11.8906 0.0 0 CFG=2
M  V30 25 C 10.6694 12.6606 0.0 0
M  V30 26 C 10.6694 14.2006 0.0 0
M  V30 27 N 12.0032 11.8906 0.0 0
M  V30 28 C 12.0032 14.9706 0.0 0
M  V30 29 C 13.3369 12.6606 0.0 0
M  V30 30 C 13.3369 14.2006 0.0 0
M  V30 31 C 14.6705 14.9706 0.0 0
M  V30 32 C 14.6705 16.5106 0.0 0
M  V30 33 C 16.0041 14.2006 0.0 0
M  V30 34 C 16.0041 17.2806 0.0 0
M  V30 35 C 17.3379 14.9706 0.0 0
M  V30 36 C 17.3379 16.5106 0.0 0
M  V30 37 H 9.4089 8.6671 0.0 0
M  V30 38 H 8.0021 11.1206 0.0 0
M  V30 39 H 5.4225 6.3656 0.0 0
M  V30 40 H 4.0011 8.8106 0.0 0
M  V30 41 S 8.6690 1.5400 0.0 0 VAL=6
M  V30 42 O 7.1290 1.5400 0.0 0
M  V30 43 O 10.2090 1.5400 0.0 0
M  V30 44 O 8.6690 0.0000 0.0 0
M  V30 45 O 8.6690 3.0800 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 12 1 CFG=3
M  V30 3 1 2 25
M  V30 4 1 16 3 CFG=1
M  V30 5 2 4 20
M  V30 6 1 5 6
M  V30 7 1 24 5 CFG=3
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 1 7 9
M  V30 11 1 9 10
M  V30 12 1 11 34
M  V30 13 1 12 13
M  V30 14 1 12 14
M  V30 15 1 13 15
M  V30 16 1 13 16
M  V30 17 1 13 37 CFG=1
M  V30 18 1 14 17
M  V30 19 1 14 18
M  V30 20 1 14 38 CFG=3
M  V30 21 1 15 19
M  V30 22 1 15 20
M  V30 23 1 15 39 CFG=1
M  V30 24 1 16 21
M  V30 25 1 17 19
M  V30 26 1 17 22
M  V30 27 1 17 40 CFG=1
M  V30 28 1 18 23
M  V30 29 1 20 21
M  V30 30 1 22 24
M  V30 31 1 23 24
M  V30 32 2 25 26
M  V30 33 1 25 27
M  V30 34 1 26 28
M  V30 35 2 27 29
M  V30 36 2 28 30
M  V30 37 1 29 30
M  V30 38 1 30 31
M  V30 39 2 31 32
M  V30 40 1 31 33
M  V30 41 1 32 34
M  V30 42 2 33 35
M  V30 43 2 34 36
M  V30 44 1 35 36
M  V30 45 2 41 42
M  V30 46 2 41 43
M  V30 47 1 41 44
M  V30 48 1 41 45
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(7 12 13 14 15 16 17 24)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
705260-08-8

> <cas.index.name>
Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester, sulfate (1:1)

> <molecular.formula>
C29H33FN2O4.H2O4S

> <molecular.weight>
590.66

$$$$
