1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]et...
C25H26F6N2O2.ClH.H2O
914462-92-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.4700 7.6298 0.0 0
M  V30 2 O 7.7000 8.9636 0.0 0
M  V30 3 C 6.1600 8.9636 0.0 0 CFG=1
M  V30 4 C 5.3900 7.6298 0.0 0
M  V30 5 O 16.2159 10.6505 0.0 0
M  V30 6 C 6.1600 14.2983 0.0 0
M  V30 7 F 4.8262 15.0683 0.0 0
M  V30 8 F 6.9300 15.6319 0.0 0
M  V30 9 F 7.4936 13.5283 0.0 0
M  V30 10 C 1.5400 11.6309 0.0 0
M  V30 11 F 1.5400 13.1709 0.0 0
M  V30 12 F 0.0000 11.6309 0.0 0
M  V30 13 F 1.5400 10.0909 0.0 0
M  V30 14 C 10.0100 7.6298 0.0 0 CFG=2
M  V30 15 C 9.7425 9.1464 0.0 0
M  V30 16 N 11.4571 7.1031 0.0 0
M  V30 17 C 10.9223 10.1363 0.0 0
M  V30 18 C 12.6368 8.0930 0.0 0
M  V30 19 C 12.3694 9.6096 0.0 0 CFG=1
M  V30 20 N 13.8635 9.2371 0.0 0
M  V30 21 C 12.2619 11.1459 0.0 0
M  V30 22 C 14.6797 10.5430 0.0 0
M  V30 23 C 13.6898 11.7228 0.0 0
M  V30 24 C 9.7425 6.1132 0.0 0
M  V30 25 C 10.9223 5.1233 0.0 0
M  V30 26 C 8.2954 5.5865 0.0 0
M  V30 27 C 10.6548 3.6067 0.0 0
M  V30 28 C 8.0280 4.0699 0.0 0
M  V30 29 C 9.2077 3.0800 0.0 0
M  V30 30 C 5.3900 10.2972 0.0 0
M  V30 31 C 6.1600 11.6309 0.0 0
M  V30 32 C 3.8500 10.2972 0.0 0
M  V30 33 C 5.3900 12.9645 0.0 0
M  V30 34 C 3.0800 11.6309 0.0 0
M  V30 35 C 3.8500 12.9645 0.0 0
M  V30 36 Cl 8.1079 1.5400 0.0 0
M  V30 37 O 8.1079 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 14 1 CFG=1
M  V30 3 1 2 3
M  V30 4 1 3 4 CFG=3
M  V30 5 1 3 30
M  V30 6 2 5 22
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 9
M  V30 10 1 6 33
M  V30 11 1 10 11
M  V30 12 1 10 12
M  V30 13 1 10 13
M  V30 14 1 10 34
M  V30 15 1 14 15
M  V30 16 1 14 16
M  V30 17 1 14 24 CFG=3
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 1 19 18 CFG=3
M  V30 22 1 19 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 1 22 23
M  V30 27 2 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 2 26 28
M  V30 31 2 27 29
M  V30 32 1 28 29
M  V30 33 2 30 31
M  V30 34 1 30 32
M  V30 35 1 31 33
M  V30 36 2 32 34
M  V30 37 2 33 35
M  V30 38 1 34 35
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 3 14 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
914462-92-3

> <cas.index.name>
1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride, hydrate (1:1:1), (5S,8S)-

> <molecular.formula>
C25H26F6N2O2.ClH.H2O

> <molecular.weight>
554.95

$$$$
