Chem
J-GLOBAL ID：200907078404927204   Nikkaji number：J747.289G

(4aα,8aα)-6α-[2-(1H-Tetrazol-5-yl)ethyl]decahydroisoquinoline-3β-carboxylic acid

(4aα,8aα)-6α-[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-3β-カルボン酸
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+/m0/s1
InChI key： ZXFRFPSZAKNPQQ-UKKRHICBSA-N
SMILES： OC(=O)[C@H]1C[C@H]2C[C@H](CCc3nnn[nH]3)CC[C@H]2CN1
Systematic name  (3)：
  • (4aα,8aα)-6α-[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-3β-カルボン酸
  • (3R,4aR,6S,8aR)-6-[2-(1H-1,2,3,4-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
  • (3R,4aR,6S,8aR)-6-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid
Other name (1)：
  • (4aα,8aα)-6α-[2-(1H-Tetrazol-5-yl)ethyl]decahydroisoquinoline-3β-carboxylic acid
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