Chem
J-GLOBAL ID：200907026483217535   Nikkaji number：J2.179.155E

T-817MA

T-817MA
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： C20H22NO4[O-]S
Molecular formula furigana： C20-H22-N-O5-S
Molecular weight： 388.460
InChI： InChI=1S/C20H23NO5S/c22-19(23)4-5-20(24)26-17-13-21(14-17)8-1-9-25-10-6-15-2-3-18-16(12-15)7-11-27-18/h2-5,7,11-12,17H,1,6,8-10,13-14H2,(H,22,23)/p-1/b5-4-
InChI key： YMWGCYACETVXBW-PLNGDYQASA-M
SMILES： [O-]C(=O)/C=C\C(=O)OC1CN(CCCOCCc2ccc3sccc3c2)C1
Systematic name  (3)：
  • 1-[3-[2-(ベンゾ[b]チオフェン-5-イル)エトキシ]プロピル]アゼチジン-3-オールマレアート
  • (2Z)-4-[(1-{3-[2-(1-ベンゾチオフェン-5-イル)エトキシ]プロピル}アゼチジン-3-イル)オキシ]-4-オキソブタ-2-エノアート
  • (2Z)-4-[(1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-yl)oxy]-4-oxobut-2-enoate
Other name (3)：
  • 1-[3-[2-(Benzo[b]thiophene-5-yl)ethoxy]propyl]azetidine-3-ol maleate
  • T-817MA
  • エドネルピックマレイン酸
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