Benzoic acid, 4-nitro-, compd. with (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone (1:1)

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Benzoic acid, 4-nitro-, compd. with (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone (1:1)

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Benzoic acid, 4-nitro-, compd. with (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone (1:1)

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Catalog Number	PR1456803374
CAS	1456803-37-4
IUPAC Name	3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;4-nitrobenzoic acid
Molecular Weight	453.4
Molecular Formula	C21H22F3N3O5
InChI	NLKPXTXSNDZRNG-UHFFFAOYSA-N
InChI Key	InChI=1S/C14H17F3N2O.C7H5NO4/c1-9-11(10-5-3-2-4-6-10)7-12(18)13(20)19(9)8-14(15,16)17;9-7(10)5-1-3-6(4-2-5)8(11)12/h2-6,9,11-12H,7-8,18H2,1H3;1-4H,(H,9,10)
Applications/Corresponding APIs	Ubrogepant
Isomeric SMILES	CC1C(CC(C(=O)N1CC(F)(F)F)N)C2=CC=CC=C2.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

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