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- 1 of 1 defined stereocentres
2-(5-Cyano-2-{(5R)-6-(methoxycarbonyl)-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,3,5,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}phenyl)-N,N,N-trimethylethanaminium methanesulfonate
CC1=C([C@@H](C2=CC=C(C=C2CC[N+](C)(C)C)C#N)N2C(=O)NN=C2N1C1C=C(C=CC=1)C(F)(F)F)C(=O)OC.CS([O-])(=O)=O
InChI=1S/C27H27F3N6O3.CH4O3S/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30;1-5(2,3)4/h6-10,13-14,23H,11-12H2,1-5H3;1H3,(H,2,3,4)/t23-;/m1./s1
PTLGCXRUDBXISG-GNAFDRTKSA-N
CSID:81368297, http://www.chemspider.com/Chemical-Structure.81368297.html (accessed 17:53, May 17, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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