Chem
J-GLOBAL ID:201507048511336376
Nikkaji number:J3.353.518J
ML-337
(3R)-1-{2-フルオロ-4-[2-(4-メトキシフェニル)エチニル]ベンゾイル}ピペリジン-3-オール
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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:
C21 H20 FNO3
Molecular formula furigana:
C21-H20-F-N-O3
Molecular weight:
353.393
InChI:
InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1
InChI key:
QBCRLDPMQHPGIM-QGZVFWFLSA-N
SMILES:
COc1ccc(cc1)C#Cc1ccc(C(=O)N2CCC[C@@H](O)C2)c(F)c1
Systematic name (3):
[(3R)-3α-ヒドロキシピペリジノ][2-フルオロ-4-[(4-メトキシフェニル)エチニル]フェニル]メタノン
(3R)-1-{2-フルオロ-4-[2-(4-メトキシフェニル)エチニル]ベンゾイル}ピペリジン-3-オール
(3R)-1-{2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]benzoyl}piperidin-3-ol
Other name (2):
[(3R)-3α-Hydroxypiperidino][2-fluoro-4-[(4-methoxyphenyl)ethynyl]phenyl]methanone
ML-337
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