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
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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:
C13 H21 N5 O2
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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