Chem
J-GLOBAL ID：200907010886277631
Nikkaji number：J1.235.996I
(5R,αS)-α-(3,4-Dimethoxy-2-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-methanol
(5R,αS)-α-(3,4-ジメトキシ-2-ブロモフェニル)-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 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
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
Molecular formula： C20H22BrNO5
Molecular formula furigana： C20-H22-BR-N-O5
Molecular weight： 436.302
InChI：
InChI=1S/C20H22BrNO5/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19(23)12-4-5-14(24-2)20(25-3)17(12)21/h4-5,8-9,18-19,23H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChI key：
LNZDLKHUIFZPSO-MOPGFXCFSA-N
SMILES：
COc1ccc([C@H](O)[C@@H]2N(C)CCc3cc4OCOc4cc23)c(Br)c1OC
Systematic name (3)：
- (5R,αS)-α-(3,4-ジメトキシ-2-ブロモフェニル)-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)-(2-ブロモ-3,4-ジメトキシフェニル)[(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)-(2-bromo-3,4-dimethoxyphenyl)[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol
- (5R,αS)-α-(3,4-Dimethoxy-2-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-methanol
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