Chem
J-GLOBAL ID:200907050505334970   Nikkaji number:J2.557.064B

(8R,9S)-3-Desvinyl-3-ethyl-3,9-epoxy-6′-[3,5-bis(trifluoromethyl)phenylamino(thiocarbonyl)amino]cinchonan

(8R,9S)-3-デスビニル-3-エチル-3,9-エポキシ-6′-[3,5-ビス(トリフルオロメチル)フェニルアミノ(チオカルボニル)アミノ]シンコナン
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: C28H26F6N4OS
Molecular formula furigana: C28-H26-F6-N4-O-S
Molecular weight: 580.590
InChI: InChI=1S/C28H26F6N4OS/c1-2-26-14-38-8-6-15(26)12-23(38)24(39-26)20-5-7-35-22-4-3-18(13-21(20)22)36-25(40)37-19-10-16(27(29,30)31)9-17(11-19)28(32,33)34/h3-5,7,9-11,13,15,23-24H,2,6,8,12,14H2,1H3,(H2,36,37,40)/t15-,23+,24-,26-/m0/s1
InChI key: GCJLXQYIJFBPNF-SYHLFCKVSA-N
SMILES: CC[C@]12CN3CC[C@H]1C[C@@H]3[C@@H](O2)c1ccnc2ccc(NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc12
Systematic name  (3):
  • (8R,9S)-3-デスビニル-3-エチル-3,9-エポキシ-6′-[3,5-ビス(トリフルオロメチル)フェニルアミノ(チオカルボニル)アミノ]シンコナン
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-{4-[(3R,5S,6R,8S)-3-エチル-4-オキサ-1-アザトリシクロ[4.4.0.03,8]デカン-5-イル]キノリン-6-イル}チオ尿素
  • 1-[3,5-bis(trifluoromethyl)phenyl]-3-{4-[(3R,5S,6R,8S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-yl}thiourea
Other name (1):
  • (8R,9S)-3-Desvinyl-3-ethyl-3,9-epoxy-6′-[3,5-bis(trifluoromethyl)phenylamino(thiocarbonyl)amino]cinchonan
Thsaurus map:

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