Darunavir

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Formula C27H37N3O7S
IUPAC Name [(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Mass 547.664 g·mol−1
Heat of Formation -1164.9 ± 16.7 kJ·mol−1
Dipole Moment 11.50 ± 1.08 D
Volume 648.38 Å 3
Surface Area 505.8 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester
  • (3r,3as,6ar)-hexahydrofuro(2,3-b)furan-3-yl n-((1s,2r)-1-benzyl-2-hydroxy-3-(n1-isobutylsulfanilamido)propyl)carbamate
  • (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(1s,2r)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • carbamic acid, [(1s,2r)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • d03656
  • darunavir (usan)
  • n-[(1s,2r)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • tmc 114
  • tmc114
  • uic 94017
  • uic-94017
  • uic-96017
CAS Number(s)
  • 206361-99-1
  • 618109-00-5
InChIKey CJBJHOAVZSMMDJ-HEXNFIEUSA-N
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