Chem
J-GLOBAL ID:200907003637655735
Nikkaji number:J508.463F
(3S,4aβ,8aβ)-Decahydro-6α-[(1H-tetrazol-5-yl)methyl]isoquinoline-3α-carboxylic acid
(3S,4aβ,8aβ)-デカヒドロ-6α-[(1H-テトラゾール-5-イル)メチル]イソキノリン-3α-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:
C12 H19 N5 O2
Molecular formula furigana:
C12-H19-N5-O2
Molecular weight:
265.317
InChI:
InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10+/m1/s1
InChI key:
ACTONBBIVMTUAJ-IMSYWVGJSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2C[C@H](Cc3nnn[nH]3)CC[C@@H]2CN1
Systematic name (3):
(3S,4aβ,8aβ)-デカヒドロ-6α-[(1H-テトラゾール-5-イル)メチル]イソキノリン-3α-カルボン酸
(3S,4aS,6R,8aS)-6-[(1H-1,2,3,4-テトラゾール-5-イル)メチル]-デカヒドロイソキノリン-3-カルボン酸
(3S,4aS,6R,8aS)-6-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-decahydroisoquinoline-3-carboxylic acid
Other name (1):
(3S,4aβ,8aβ)-Decahydro-6α-[(1H-tetrazol-5-yl)methyl]isoquinoline-3α-carboxylic acid
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