Fipravirimat
(1R)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
Molecular Identity
Fipravirimat
(1R)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID: 118435805
2D Structure
Properties
C43H67FN2O4S
Molecular Formula
727.10
Molecular Weight
g/mol
726.4806
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
95.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
1580
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Fipravirimat1818867-24-1GSK3640254M5FP5REG5QGSK-3640254GSK3640254AGSK-3640254A(1R)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid(1R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta(a)chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acidRefChem:140470Fipravirimat [INN]UNII-M5FP5REG5QGSK'254(1R)-4-(17-((2-(1,1-Dioxido-4-thiomorpholinyl)ethyl)amino)-28-norlupa-2,20(29)-dien-3-yl)-1-(fluoromethyl)-3-cyclohexene-1-carboxylic acid3-Cyclohexene-1-carboxylic acid, 4-(17-((2-(1,1-dioxido-4-thiomorpholinyl)ethyl)amino)-28-norlupa-2,20(29)-dien-3-yl)-1-(fluoromethyl)-, (1R)-
Data from PubChem (NCBI)
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