Chem
J-GLOBAL ID：200907088014404842   Nikkaji number：J1.768.267I

S-32-468

スピレンドロール
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： C21H31NO3
Molecular formula furigana： C21-H31-N-O3
Molecular weight： 345.483
InChI： InChI=1S/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3
InChI key： YLBMSIZZTJEEIO-UHFFFAOYSA-N
SMILES： CC(C)(C)NCC(O)COc1cccc2C(=O)C3(Cc12)CCCCC3
Systematic name  (3)：
  • 4-[2-ヒドロキシ-3-(tert-ブチルアミノ)プロポキシ]スピロ[インダン-2,1′-シクロヘキサン]-1-オン
  • 4'-[3-(tert-ブチルアミノ)-2-ヒドロキシプロポキシ]-1',3'-ジヒドロスピロ[シクロヘキサン-1,2'-インデン]-1'-オン
  • 4'-[3-(tert-butylamino)-2-hydroxypropoxy]-1',3'-dihydrospiro[cyclohexane-1,2'-inden]-1'-one
Other name (7)：
  • 4-[2-Hydroxy-3-(tert-butylamino)propoxy]spiro[indan-2,1′-cyclohexane]-1-one
  • スピレンドロール
  • Spirendolol
  • サブスタンス32468
  • Substance 32468
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CAS registry number： 81840-58-6
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