Chem
J-GLOBAL ID：200907033845887140   Nikkaji number：J304.844F

(-)-Tertatolol

(-)-テルタトロール
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： C16H25NO2S
Molecular formula furigana： C16-H25-N-O2-S
Molecular weight： 295.440
InChI： InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m0/s1
InChI key： HTWFXPCUFWKXOP-ZDUSSCGKSA-N
SMILES： CC(C)(C)NC[C@H](O)COc1cccc2CCCSc12
Systematic name  (4)：
  • (2S)-1-[[(3,4-ジヒドロ-2H-1-ベンゾチオピラン)-8-イル]オキシ]-3-[(1,1-ジメチルエチル)アミノ]-2-プロパノール
  • (S)-1-[[(3,4-ジヒドロ-2H-1-ベンゾチオピラン)-8-イル]オキシ]-3-[(1,1-ジメチルエチル)アミノ]-2-プロパノール
  • (2S)-1-(tert-ブチルアミノ)-3-(3,4-ジヒドロ-2H-1-ベンゾチオピラン-8-イルオキシ)プロパン-2-オール
  • (2S)-1-(tert-butylamino)-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)propan-2-ol
Other name (4)：
  • (S)-1-[[(3,4-Dihydro-2H-1-benzothiopyran)-8-yl]oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol
  • (2S)-1-[[(3,4-Dihydro-2H-1-benzothiopyran)-8-yl]oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol
  • (-)-テルタトロール
  • (-)-Tertatolol
CAS registry number： 116127-10-7
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