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Casopitant mesylate

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Basic information
Standard English name
Cas No. 414910-30-8
Alias
Canonical Smiles CN([C@H](C)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F)C(=O)N1CC[C@@H](C[C@@H]1C1C=CC(F)=CC=1C)N1CCN(CC1)C(C)=O.CS(O)(=O)=O
MDL No. MFCD18382224
Exact Mass 712.25294
Smiles CC1=C([C@H]2C[C@@H](N3CCN(C(C)=O)CC3)CCN2C(N([C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)C)=O)C=CC(F)=C1.CS(=O)(O)=O
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Character
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GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
Hazard Codes
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Hazard Statements
Safety Instructions P261;P305+P351+P338
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Useage
Inchi InChI=1S/C30H35F7N4O2.CH4O3S/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1
InchiKey YRFKYVWDPCOSTE-REWBLLDVSA-N
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