basic_info |
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Product_Name: | (S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL |
CAS: | 951008-65-4 |
EnglishSynonyms: | (S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL ; [(2S)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL]-1-PYRROLIDINYL][4-(1-PYRROLIDINYL)-3-PYRIDINYL]METHANONE ; CHIRAL DMAP |
pro_mdlNumber: | MFCD17015289 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | c1cncc(c1N2CCCC2)C(=O)N3CCC[C@H]3C(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)(c5cc(cc(c5)C(F)(F)F)C(F)(F)F)O |
InChi: | InChI=1S/C31H25F12N3O2/c32-28(33,34)19-10-17(11-20(14-19)29(35,36)37)27(48,18-12-21(30(38,39)40)15-22(13-18)31(41,42)43)25-4-3-9-46(25)26(47)23-16-44-6-5-24(23)45-7-1-2-8-45/h5-6,10-16,25,48H,1-4,7-9H2/t25-/m0/s1 |
InChiKey: | InChIKey=LVJPWYSGCCTYAC-VWLOTQADSA-N |
property |
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Comments: | ASSAY METHOD: HPLC OPTICAL ACTIVITY: [ALPHA]/D -50.0+/-3.0 DEG, C = 1 IN ETHANOL WGK: 3 |
secure_info |
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secure_symbol: |
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secure_signal_word: | Warning |
secure_risk_stmt: | H315-H319-H335 |
secure_cautionary_stmt: | P261-P305 + P351 + P338 |
secure_damage_code: | Xi |
secure_risk_disclosure_stmt: | R:36/37/38 |
secure_security_stmt: | S:26 |
secure_wgk_germany: | 3 |
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