Chem
J-GLOBAL ID:201507097115713826   Nikkaji number:J3.333.718C

(S)-1-[(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-[(R)-2-[(S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethylamino]ethanol

(S)-1-[(R)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-[(R)-2-[(S)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-ヒドロキシエチルアミノ]エタノール
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: C22H25F2NO4
Molecular formula furigana: C22-H25-F2-N-O4
Molecular weight: 405.442
InChI: InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/t17-,18+,21+,22-
InChI key: KOHIRBRYDXPAMZ-MTIDIVMFSA-N
SMILES: O[C@@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1
Systematic name  (3):
  • (S)-1-[(R)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-[(R)-2-[(S)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-ヒドロキシエチルアミノ]エタノール
  • (1S)-1-[(2R)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-{[(2R)-2-[(2S)-6-フルオロ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2-ヒドロキシエチル]アミノ}エタン-1-オール
  • (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-{[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino}ethan-1-ol
Other name (1):
  • (S)-1-[(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-[(R)-2-[(S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethylamino]ethanol
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