Simeprevir

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Names

[ CAS No. ]:
923604-59-5

[ Name ]:
Simeprevir

[Synonym ]:
(2R,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide
Simeprevir
TMC435350
TMC-435350
Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-
Olysio
(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
Olysio (TN)
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
TMC435

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Molecular Formula ]:
C38H47N5O7S2

[ Molecular Weight ]:
749.939

[ Exact Mass ]:
749.291687

[ PSA ]:
193.51000

[ LogP ]:
4.99

[ Index of Refraction ]:
1.653

[ Storage condition ]:
2-8°C

Related Compounds

  • Simeprevir sodium
  • simeprevir intermediate
  • 1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanone
  • 4-Bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
  • 3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
  • 4-[(4-Ethylphenoxy)methyl]benzoyl chloride
  • 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl chloride
  • 5-[(2-Methoxyphenoxy)methyl]-2-furoyl chloride
  • 2-((5-((4-Chloro-3-methyl-1H-pyrazol-1-yl)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
  • N-(oxiran-2-ylmethyl)aniline
  • 2-(2-Chloro-4-nitrophenoxy)butanoic acid
  • 2-(4-Phenylbutyl)-4-benzofurancarboxaldehyde
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