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Nirmatrelvir

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Nirmatrelvir / CAS : 2628280-40-8

Appearance - UN -
HS - DG Class -
Synonyms Paxlovid; (1R,2S,5S)-N-[(1S)-1-Cyano-2-[(3S)-2-Oxopyrrolidin-3-yl]Ethyl]-3-[(2S)-3,3-Dimethyl-2-[(2,2,2-Trifluoroacetyl)Amino]Butanoyl]-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hexane-2-Carboxamide; (1R,2S,5S)-N-((1S)-1-Cyano-2-((3S)-2-Oxopyrrolidin-3-yl)Ethyl)-6,6-Dimethyl-3-(3-Methyl-N-(Trifluoroacetyl)-L-Valyl)-3-Azabicyclo(3.1.0)Hexane-2-Carboxamide; (1R,2S,5S)-N-[(1S)-1-Cyano-2-[(3S)-2-Oxopyrrolidin-3-yl]Ethyl]-3-[(2S)-3,3-Dimethyl-2-(2,2,2-Trifluoroacetamido)Butanoyl]-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hexane-2-Carboxamide; (1R,2S,5S)-N-((S)-1-Cyano-2-((S)-2-Oxopyrrolidin-3-yl)Ethyl)-3-((S)-3,3-Dimethyl-2-(2,2,2-Trifluoroacetamido)Butanoyl)-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hexane-2-Carboxamide; 3-Azabicyclo(3.1.0)Hexane-2-Carboxamide, N-((1S)-1-Cyano-2-((3S)-2-oxo-3-Pyrrolidinyl)Ethyl)-3-((2S)-3,3-Dimethyl-1-oxo-2-((2,2,2-Trifluoroacetyl)Amino)Butyl)-6,6-Dimethyl-, (1R,2S,5S)-; 3-Azabicyclo[3.1.0]Hexane-2-Carboxamide, N-[(1S)-1-Cyano-2-[(3S)-2-oxo-3-Pyrrolidinyl]Ethyl]-3-[(2S)-3,3-Dimethyl-1-oxo-2-[(2,2,2-Trifluoroacetyl)Amino]Butyl]-6,6-Dimethyl-, (1R,2S,5S)-; (1S,3aS,4aR)-N-[(1S)-1-Cyano-2-[(3S)-2-Oxotetrahydro-1H-Pyrrol-3-yl]Ethyl]-2-[(2S)-3,3-Dimethyl-1-oxo-2-[(Trifluoroacetyl)Amino]Butyl]-4,4-Dimethyl-2,3,3a,4a-Tetrahydro-1H-Cyclopropa[1,2-c]Pyrrole-1-Carboxamide
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Properties

Summary

Formula
C23H32F3N5O4
Molecular Mass
499.52600
Exact Mass
499.24100
PSA
131.40000
Logp
2.14568
IUPAC
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILES
CC1([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)N[C@@H](C[C@@H]3CCNC3=O)C#N)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Synthetic Anti Infective Drugs

Chemical and Physical Properties

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