Nirmatrelvir Impurity 5

cas: 2755812-45-2 — see every product listed under this CAS number, including other names

Nirmatrelvir Impurity 5 (CAS 2755812-45-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULN148007
cas2755812-45-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 2755812-45-2) is a chemical compound with the molecular formula C16H23F3N2O4 and a molecular weight of 364.36 g/mol. IUPAC name: (1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid. InChIKey: JDMCUFJAHAVBLQ-AATLWQCWSA-N.

Identity
Molecular formulaC16H23F3N2O4
Molecular weight364.36 g/mol
IUPAC name(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
InChIKeyJDMCUFJAHAVBLQ-AATLWQCWSA-N
SMILESCC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: Nirmatrelvir metabolite 5
Isomers (same molecular formula)
7-O-tert-butyl 2-O-ethyl (1R,2S,3R,4S)-3-(methylamino)-3-(trifluoromethyl)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylate C16H23F3N2O4

Also listed as

(1R,2S,5S)-3-[(2S)-3,3-Dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid, 95%, 95% Chemat CAS 2755812-45-2
(1R,2S,5S)-3-((S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid, 98% Fluorochem CAS 2755812-45-2