1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(S)[(2S,4S,5R)-5-ETHYL-1-AZA-BICYCLO[2.2.2]OCT-2-YL]-(6-METHOXY-4-QUINOLINYL)METHYL]THIOUREA ,852913-19-0

1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(S)[(2S,4S,5R)-5-ETHYL-1-AZA-BICYCLO[2.2.2]OCT-2-YL]-(6-METHOXY-4-QUINOLINYL)METHYL]THIOUREA

Basic Information
Product Name：	1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(S)[(2S,4S,5R)-5-ETHYL-1-AZA-BICYCLO[2.2.2]OCT-2-YL]-(6-METHOXY-4-QUINOLINYL)METHYL]THIOUREA
CAS：	852913-19-0
English Synonyms：	N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N'-((8A,9S)-10,11-DIHYDRO-6'-METHOXY-9-CINCHONANYL)THIOUREA ; 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(S)[(2S,4S,5R)-5-ETHYL-1-AZA-BICYCLO[2.2.2]OCT-2-YL]-(6-METHOXY-4-QUINOLINYL)METHYL]THIOUREA ; EPI-N-DIHYDROQUINYL-N'-BIS(3,5-TRIFLUOROMETHYL)PHENYLTHIOUREA
MDL Number.：	MFCD16875669
H bond acceptor：	5
H bond donor：	2
Smile：	CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c3ccnc4c3cc(cc4)OC)NC(=S)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChi：	InChI=1S/C29H30F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
InChiKey：	InChIKey=KBYUJTLQXUVPQI-FRSFCCSCSA-N
Property
Comments：	APPLICATION: HIGHLY ENANTIOSELECTIVE CONJUGATE ADDITION OF NITROMETHANE TO CHALCONES USING BIFUNCTIONAL CINCHONA ORGANOCATALYSTS ASSAY METHOD: HPLC OPTICAL ACTIVITY: [ALPHA]/D -120.0+/-5.0 DEG, C = 1 IN CHLOROFORM WGK: 3
Safety information
Symbol：	GHS06
Signal word：	Danger
Hazard statements：	H301
Precautionary statements：	P301 + P310
hazard symbol：	T
Risk Code：	R:25
Safe Code：	S:45
WGK Germany：	3

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