Chem
J-GLOBAL ID：201007061595438519   Nikkaji number：J2.804.733I

RSD-1235

バナカラント
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： C20H31NO4
Molecular formula furigana： C20-H31-N-O4
Molecular weight： 349.471
InChI： InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1
InChI key： VBHQKCBVWWUUKN-KZNAEPCWSA-N
SMILES： COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
Systematic name  (4)：
  • (3R)-1-[(1R,2R)-2α-[2-(3,4-ジメトキシフェニル)エトキシ]シクロヘキサン-1β-イル]ピロリジン-3α-オール
  • (3R)-1-[(1R,2R)-2-[2-(3,4-ジメトキシフェニル)エトキシ]シクロヘキサン-1-イル]ピロリジン-3-オール
  • (3R)-1-[(1R,2R)-2-[2-(3,4-ジメトキシフェニル)エトキシ]シクロヘキシル]ピロリジン-3-オール
  • (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
Other name (6)：
  • (3R)-1-[(1R,2R)-2α-[2-(3,4-Dimethoxyphenyl)ethoxy]cyclohexan-1β-yl]pyrrolidine-3α-ol
  • RSD-1235
  • Vernakalant
  • ベルナカラント
  • (3R)-1-[(1R,2R)-2-[2-(3,4-Dimethoxyphenyl)ethoxy]cyclohexan-1-yl]pyrrolidine-3-ol
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CAS registry number： 794466-70-9
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