MIGRALEVE ,78168-90-8 _ChemCD

MIGRALEVE

pro_cas: 78168-90-8
pro_cdbregno: CCD00245090
pro_formula: C28 H33 Cl N2 . C20 H37 O7 S . C18 H21 N O3 . C8 H9 N O2 . Na . 2 Cl H . H3 O4 P
pro_molWeight: 1499.04

basic_info
Product_Name：	MIGRALEVE
CAS：	78168-90-8
EnglishSynonyms：	MIGRALEVE
pro_mdlNumber：	MFCD01714485
pro_acceptors：	2
pro_donors：	0
pro_smile：	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CC(=O)Nc1ccc(cc1)O.CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl.CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC.OP(=O)(O)O.[Na+].Cl.Cl
InChi：	InChI=1S/C28H33ClN2.C20H38O7S.C18H21NO3.C8H9NO2.2ClH.Na.H3O4P/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-6(10)9-7-2-4-8(11)5-3-7;;;;1-5(2,3)4/h4-16,27H,17-21H2,1-3H3;16-18H,5-15H2,1-4H3,(H,23,24,25);3-6,11-13,17,20H,7-9H2,1-2H3;2-5,11H,1H3,(H,9,10);2*1H;;(H3,1,2,3,4)/q;;;;;;+1;/p-1/t;;11-,12+,13-,17-,18-;;;;;/m..0...../s1
InChiKey：	InChIKey=YHKQUERNJBHAGZ-RWHAEUCFSA-M

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