Chem
J-GLOBAL ID：200907026523957588   Nikkaji number：J1.733.413A

1-[(2R,3R)-2-(2,5-Difluorophenyl)-2-hydroxy-3-[4-(4-cyanophenyl)thiazole-2-yl]butyl]-4-[1-[methyl[3-[[(methylamino)acetoxy]methyl]-2-pyridyl]carbamoyloxy]ethyl]-1H-1,2,4-triazole-4-ium

1-[(2R,3R)-2-(2,5-ジフルオロフェニル)-2-ヒドロキシ-3-[4-(4-シアノフェニル)チアゾール-2-イル]ブチル]-4-[1-[メチル[3-[[(メチルアミノ)アセトキシ]メチル]-2-ピリジル]カルバモイルオキシ]エチル]-1H-1,2,4-トリアゾール-4-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H35F2N7[N+]O5S
Molecular formula furigana： C35-H35-F2-N8-O5-S
Molecular weight： 717.770
InChI： InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1
InChI key： RSWOJTICKMKTER-QXLBVTBOSA-N
SMILES： CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@@](O)([C@@H](C)c2nc(cs2)c2ccc(cc2)C#N)c2cc(F)ccc2F)c1
Systematic name  (4)：
  • 1-[(2R,3R)-2-(2,5-ジフルオロフェニル)-2-ヒドロキシ-3-[4-(4-シアノフェニル)チアゾール-2-イル]ブチル]-4-[1-[メチル[3-[[(メチルアミノ)アセトキシ]メチル]-2-ピリジル]カルバモイルオキシ]エチル]-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-2-ヒドロキシ-2-(2,5-ジフルオロフェニル)-3-[4-(4-シアノフェニル)-2-チアゾリル]ブチル]-4-[1-[N-メチル-N-[3-[(メチルアミノ)アセトキシメチル]-2-ピリジル]カルバモイルオキシ]エチル]-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-3-[4-(4-シアノフェニル)-1,3-チアゾール-2-イル]-2-(2,5-ジフルオロフェニル)-2-ヒドロキシブチル]-4-[1-({メチル[3-({[2-(メチルアミノ)アセチル]オキシ}メチル)ピリジン-2-イル]カルバモイル}オキシ)エチル]-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-({methyl[3-({[2-(methylamino)acetyl]oxy}methyl)pyridin-2-yl]carbamoyl}oxy)ethyl]-1H-1,2,4-triazol-4-ium
Other name (2)：
  • 1-[(2R,3R)-2-(2,5-Difluorophenyl)-2-hydroxy-3-[4-(4-cyanophenyl)thiazole-2-yl]butyl]-4-[1-[methyl[3-[[(methylamino)acetoxy]methyl]-2-pyridyl]carbamoyloxy]ethyl]-1H-1,2,4-triazole-4-ium
  • 1-[(2R,3R)-2-Hydroxy-2-(2,5-difluorophenyl)-3-[4-(4-cyanophenyl)-2-thiazolyl]butyl]-4-[1-[N-methyl-N-[3-[(methylamino)acetoxymethyl]-2-pyridyl]carbamoyloxy]ethyl]-1H-1,2,4-triazole-4-ium
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM