Chem
J-GLOBAL ID：200907070373976979   Nikkaji number：J1.235.998E

(5R,αS)-α-(4-Bromo-1,3-benzodioxole-5-yl)-6-methyl-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-メチル-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： C19H18BrNO5
Molecular formula furigana： C19-H18-BR-N-O5
Molecular weight： 420.259
InChI： InChI=1S/C19H18BrNO5/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18(22)11-2-3-13-19(16(11)20)26-9-23-13/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3/t17-,18+/m1/s1
InChI key： KJOZYBBISBSESW-MSOLQXFVSA-N
SMILES： CN1CCc2cc3OCOc3cc2[C@@H]1[C@@H](O)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-メチル-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)-(4-ブロモ-2H-1,3-ベンゾジオキソール-5-イル)[(5R)-6-メチル-2H,5H,6H,7H,8H-[1,3]ジオキソロ[4,5-g]イソキノリン-5-イル]メタノール
  • (S)-(4-bromo-2H-1,3-benzodioxol-5-yl)[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol
Other name (1)：
  • (5R,αS)-α-(4-Bromo-1,3-benzodioxole-5-yl)-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-methanol
Thsaurus map：
Thesaurus Map

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