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Diss Factsheets

IUPAC name:
2-[3,5-bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]pyridin-3-yl}-N,2-dimethylpropanamide dihydrochloride isopropanol solvate

Inventory

CAS number:
1268364-53-9

Synonyms

Molecular and structural information

Molecular formula:
C33H35F7N4O3.
C3H8O.2ClH
Molecular weight:
801.66
SMILES notation:
Cl.Cl.CC(C)O.CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c2cnc(cc2c3ccc(F)cc3C)N4C[C@H]5COCCN5C[C@H]4CO
InChl:
InChI=1S/C33H35F7N4O3.C3H8O.2ClH/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40;1-3(2)4;;/h5-6,9-14 ,24-25,45H,7-8,15-18H2,1-4H3;3-4H,1-2H3;2*1H/t24-,25-;;;/m0.../s1
Structural formula:
Chemical structure

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