Chem
J-GLOBAL ID：200907080514214232   Nikkaji number：J602.046A

Rupatadine

ルパタジン
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： C26H26ClN3
Molecular formula furigana： C26-H26-CL-N3
Molecular weight： 415.970
InChI： InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3
InChI key： WUZYKBABMWJHDL-UHFFFAOYSA-N
SMILES： Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc34)CC2)c1
Systematic name  (4)：
  • 8-クロロ-6,11-ジヒドロ-11-[1-[(5-メチル-3-ピリジニル)メチル]-4-ピペリジニリデン]-5H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン
  • 8-クロロ-11-[1-[(5-メチル-3-ピリジニル)メチル]ピペリジン-4-イリデン]-6,11-ジヒドロ-5H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン
  • 13-クロロ-2-{1-[(5-メチルピリジン-3-イル)メチル]ピペリジン-4-イリデン}-4-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン
  • 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Other name (13)：
  • 8-Chloro-11-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
  • ルパタジン
  • Rupatadine
  • アレルゴリバー
  • Alergoliber
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CAS registry number： 158876-82-5
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