Chem
J-GLOBAL ID：200907098252774637   Nikkaji number：J1.236.004E

(5R,αS)-α-(4-Bromo-1,3-benzodioxole-5-yl)-6-benzyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-methanol

(5R,αS)-α-(4-ブロモ-1,3-ベンゾジオキソール-5-イル)-6-ベンジル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-5-メタノール
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： C25H22BrNO5
Molecular formula furigana： C25-H22-BR-N-O5
Molecular weight： 496.357
InChI： InChI=1S/C25H22BrNO5/c26-22-17(6-7-19-25(22)32-14-29-19)24(28)23-18-11-21-20(30-13-31-21)10-16(18)8-9-27(23)12-15-4-2-1-3-5-15/h1-7,10-11,23-24,28H,8-9,12-14H2/t23-,24+/m1/s1
InChI key： BGSHDDFKLNNKQP-RPWUZVMVSA-N
SMILES： O[C@H]([C@@H]1N(Cc2ccccc2)CCc2cc3OCOc3cc12)c1ccc2OCOc2c1Br
Systematic name  (3)：
  • (5R,αS)-α-(4-ブロモ-1,3-ベンゾジオキソール-5-イル)-6-ベンジル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-5-メタノール
  • (S)-[(5R)-6-ベンジル-2H,5H,6H,7H,8H-[1,3]ジオキソロ[4,5-g]イソキノリン-5-イル](4-ブロモ-2H-1,3-ベンゾジオキソール-5-イル)メタノール
  • (S)-[(5R)-6-benzyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl](4-bromo-2H-1,3-benzodioxol-5-yl)methanol
Other name (1)：
  • (5R,αS)-α-(4-Bromo-1,3-benzodioxole-5-yl)-6-benzyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-methanol
Thsaurus map：
Thesaurus Map

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