(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidine-3-aminium 4-nitrobenzoate CAS#: 1456803-37-4

(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidine-3-aminium 4-nitrobenzoate

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Product Name:

Synonyms:

Benzoic acid, 4-?nitro-?, compd. with (3S,?5S,?6R)?-?3-?amino-?6-?methyl-?5-?phenyl-?1-?(2,?2,?2-?trifluoroethyl)?-?2-?piperidinone
Benzoic acid, 4-nitro-, compd. with (3S,5S,6R)-3-amino-6-
4-Nitro benzoate salt of amine intermediate
(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidine-3-aminium 4-nitrobenzoate
Ubrogepant Impurity 1
Benzoic acid, 4-nitro-, compd. with (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone (1:1)

CAS:

1456803-37-4

MF:

C21H22F3N3O5

MW:

453.42

Product Categories:

Mol File:

1456803-37-4.mol

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InChI: InChI=1/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)/t9-,11-,12+;/s3
InChIKey: NLKPXTXSNDZRNG-OHZHDSOUNA-N
SMILES: C(C1C=CC(N(=O)=O)=CC=1)(=O)O.C(N1C([C@@H](N)C[C@@H](C2C=CC=CC=2)[C@H]1C)=O)C(F)(F)F |&1:15,18,25,r|

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