Chem
J-GLOBAL ID：200907051210912081   Nikkaji number：J243.172F

O-Desmethyldiltiazem

O-デスメチルジルチアゼム
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： C20H24N2O3S
Molecular formula furigana： C20-H24-N2-O3-S
Molecular weight： 372.480
InChI： InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1
InChI key： NZHUXMZTSSZXSB-MOPGFXCFSA-N
SMILES： COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1O
Systematic name  (13)：
  • (2S,3S)-5-[2-(ジメチルアミノ)エチル]-2,3-ジヒドロ-3-ヒドロキシ-2-(4-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S)-2β-(4-メトキシフェニル)-3β-ヒドロキシ-5-[2-(ジメチルアミノ)エチル]-2,3-ジヒドロ-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S)-5-[2-(ジメチルアミノ)エチル]-2α,3α-ジヒドロ-3β-ヒドロキシ-2-(4-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S)-5-[2-(ジメチルアミノ)エチル]-2,3-ジヒドロ-3β-ヒドロキシ-2β-(p-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S)-2α,3α-ジヒドロ-5-[2-(ジメチルアミノ)エチル]-3-ヒドロキシ-2-(4-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
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Other name (10)：
  • [2S,(+)]-3β-Hydroxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2β-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • (2S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3β-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • (2S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3β-hydroxy-2β-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • d-cis-デスアセチルジルチアゼム
  • d-cis-Desacetyldiltiazem
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CAS registry number： 42399-40-6
Regulation number (2)：
  • (9)-2263
  • EINECS2557959
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