Chem
J-GLOBAL ID:200907001567214164
Nikkaji number:J2.205.156C
(3R,8S,9R)-9-Hydroxy-3-desvinylcinchonan-3-carboxylic acid
(3R,8S,9R)-9-ヒドロキシ-3-デスビニルシンコナン-3-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:
C18 H20 N2 O3
Molecular formula furigana:
C18-H20-N2-O3
Molecular weight:
312.369
InChI:
InChI=1S/C18H20N2O3/c21-17(13-5-7-19-15-4-2-1-3-12(13)15)16-9-11-6-8-20(16)10-14(11)18(22)23/h1-5,7,11,14,16-17,21H,6,8-10H2,(H,22,23)/t11-,14-,16-,17+/m0/s1
InChI key:
XDPYXPRALQKAHS-YJOCZYATSA-N
SMILES:
O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C(=O)O)c1ccnc2ccccc12
Systematic name (3):
(3R,8S,9R)-9-ヒドロキシ-3-デスビニルシンコナン-3-カルボン酸
(3R,4S,6S)-6-[(R)-ヒドロキシ(キノリン-4-イル)メチル]-1-アザビシクロ[2.2.2]オクタン-3-カルボン酸
(3R,4S,6S)-6-[(R)-hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octane-3-carboxylic acid
Other name (1):
(3R,8S,9R)-9-Hydroxy-3-desvinylcinchonan-3-carboxylic acid
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