基本的な属性 物理性質 GHS 生産企業 スペクトル

N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide 化学構造式

N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

化学名:N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

CAS番号.929046-33-3

英語名:N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

CBNumberCB94776711

MFC33H35F7N4O3

MW668.66

MOL File929046-33-3.mol

N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide物理性質

沸点  672.1±55.0 °C(Predicted)
比重(密度)  1.40±0.1 g/cm3(Predicted)
貯蔵温度  Store at -20°C
溶解性 DMSO : 100 mg/mL (149.56 mM; Need ultrasonic)
酸解離定数(Pka) 14.57±0.10(Predicted)
外見  Solid
色 White to light yellow
InChIKey DWRIJNIPBUFCQS-NCTSPAQWNA-N
SMILES N(C1=CN=C(N2C[C@@]3([H])COCCN3C[C@H]2CO)C=C1C1C=CC(F)=CC=1C)(C)C(=O)C(C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)(C)C |&1:7,15,r|

危険有害性情報のコード(GHS)

N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide 生産企業

N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide スペクトルデータ(1HNMR)

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