Chem
J-GLOBAL ID:200907027163821732   Nikkaji number:J566.958H

2β-(4-Hydroxyphenyl)-3β-(acetyloxy)-2,3-dihydro-5-[2-(methylamino)ethyl]-1,5-benzothiazepin-4(5H)-one

2β-(4-ヒドロキシフェニル)-3β-(アセチルオキシ)-2,3-ジヒドロ-5-[2-(メチルアミノ)エチル]-1,5-ベンゾチアゼピン-4(5H)-オン
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: C20H22N2O4S
Molecular formula furigana: C20-H22-N2-O4-S
Molecular weight: 386.470
InChI: InChI=1S/C20H22N2O4S/c1-13(23)26-18-19(14-7-9-15(24)10-8-14)27-17-6-4-3-5-16(17)22(20(18)25)12-11-21-2/h3-10,18-19,21,24H,11-12H2,1-2H3/t18-,19+/m1/s1
InChI key: WRFWPKPPSGMXIS-MOPGFXCFSA-N
SMILES: CNCCN1c2ccccc2S[C@H]([C@@H](OC(=O)C)C1=O)c1ccc(O)cc1
Systematic name  (4):
  • 酢酸[(2S)-2β-(4-ヒドロキシフェニル)-4-オキソ-5-[2-(メチルアミノ)エチル]-2,3,4,5-テトラヒドロ-1,5-ベンゾチアゼピン]-3β-イル
  • 2β-(4-ヒドロキシフェニル)-3β-(アセチルオキシ)-2,3-ジヒドロ-5-[2-(メチルアミノ)エチル]-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S,3S)-2-(4-ヒドロキシフェニル)-5-[2-(メチルアミノ)エチル]-4-オキソ-2,3,4,5-テトラヒドロ-1,5-ベンゾチアゼピン-3-イル アセタート
  • (2S,3S)-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
Other name (1):
  • 2β-(4-Hydroxyphenyl)-3β-(acetyloxy)-2,3-dihydro-5-[2-(methylamino)ethyl]-1,5-benzothiazepin-4(5H)-one
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