Chem
J-GLOBAL ID:200907017260668196   Nikkaji number:J2.245.480C

(4S,5R)-3-(4-Fluorophenyl)-4-[4-(mesyloxy)phenyl]-5-[(S)-3-hydroxy-3-(4-fluorophenyl)propyl]-2-isoxazoline

(4S,5R)-3-(4-フルオロフェニル)-4-[4-(メシルオキシ)フェニル]-5-[(S)-3-ヒドロキシ-3-(4-フルオロフェニル)プロピル]-2-イソオキサゾリン
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: C25H23F2NO5S
Molecular formula furigana: C25-H23-F2-N-O5-S
Molecular weight: 487.520
InChI: InChI=1S/C25H23F2NO5S/c1-34(30,31)33-21-12-6-17(7-13-21)24-23(15-14-22(29)16-2-8-19(26)9-3-16)32-28-25(24)18-4-10-20(27)11-5-18/h2-13,22-24,29H,14-15H2,1H3/t22-,23+,24+/m0/s1
InChI key: GKMYZHSJEAUHQB-RBZQAINGSA-N
SMILES: CS(=O)(=O)Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@H](O)c2ccc(F)cc2)ON=C1c1ccc(F)cc1
Systematic name  (3):
  • (4S,5R)-3-(4-フルオロフェニル)-4-[4-(メシルオキシ)フェニル]-5-[(S)-3-ヒドロキシ-3-(4-フルオロフェニル)プロピル]-2-イソオキサゾリン
  • 4-[(4S,5R)-3-(4-フルオロフェニル)-5-[(3S)-3-(4-フルオロフェニル)-3-ヒドロキシプロピル]-4,5-ジヒドロ-1,2-オキサゾール-4-イル]フェニル メタンスルホナート
  • 4-[(4S,5R)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4,5-dihydro-1,2-oxazol-4-yl]phenyl methanesulfonate
Other name (1):
  • (4S,5R)-3-(4-Fluorophenyl)-4-[4-(mesyloxy)phenyl]-5-[(S)-3-hydroxy-3-(4-fluorophenyl)propyl]-2-isoxazoline
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