Chem
J-GLOBAL ID：200907083067580969   Nikkaji number：J619.679I

LY-293558

LY-293558
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： C13H21N5O2
Molecular formula furigana： C13-H21-N5-O2
Molecular weight： 279.344
InChI： InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
InChI key： ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
SMILES： OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Systematic name  (8)：
  • (3S,4aR,6R,8aR)-6-[2-(1H-テトラゾール-5-イル)エチル]デカヒドロイソキノリン-3-カルボン酸
  • (4aα,8aα)-6β-[2-(1H-テトラゾール-5-イル)エチル]デカヒドロイソキノリン-3α-カルボン酸
  • (3S,4aR,6R,8aR)-6-[2-(1H-テトラゾール-5-イル)エチル]デカヒドロ-3-イソキノリンカルボン酸
  • (4aα,8aα)-デカヒドロ-6β-[2-(1H-テトラゾール-5-イル)エチル]イソキノリン-3α-カルボン酸
  • (3α,4aα,6β,8aα)-デカヒドロ-6-[2-(1H-テトラゾール-5-イル)エチル]-3-イソキノリンカルボン酸
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Other name (6)：
  • (3α,4aα,6β,8aα)-Decahydro-6-[2-(1H-tetrazol-5-yl)ethyl]-3-isoquinolinecarboxylic acid
  • (4aα,8aα)-Decahydro-6β-[2-(1H-tetrazol-5-yl)ethyl]isoquinoline-3α-carboxylic acid
  • (3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)ethyl]decahydro-3-isoquinolinecarboxylic acid
  • LY-293558
  • (3S,4aα,8aα)-6β-[2-(1H-Tetrazole-5-yl)ethyl]decahydro-3α-isoquinolinecarboxylic acid
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CAS registry number： 154652-83-2
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