Aprepitant CAS No.170729-80-3 / Cat No.EBD52653
阿瑞吡坦
5-[2(R)-[1(R)-[3,5-二(三氟甲基)苯基]乙氧基]-3(S)-(4-氟苯基)吗啉-4-基甲基]-3,4-二氢-2H-1,2,4-三唑-3-酮
阿瑞匹坦
5-(2(R)-(1(R)-(3,5-二(三氟甲基)苯基)乙氧基)-3(S)-(4-氟苯基)吗啉-4-基甲基)-3,4-二氢-2H-1,2,4-三唑-3-酮
阿瑞吡坦
Properties
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Appearance:
off-white to light yellow cyrstalline solid
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Density:
1.51 g/cm3
Safety Information
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Symbol:
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Signal words:
Warning -
Hazard statements:
H319 Causes serious eye irritation.
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Precautionary statements:
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
NMR Spectrum
Prediction： NMR: 1H-NMR (DMSOd6, 300MHz) delta (ppm) = 1.36 (d, CH3, 3H, J 6.5Hz), 2.39(dt, CH2, 1 H, J 11.7Hz, J 3.1 Hz), 2.75 (d, CH2, 1 H, J 14.2Hz), 2.84 (d, CH2, 1 H, J 11.7Hz), 3.38 (d, CH2, 1 H, J 13.9Hz), 3.49 (d, CH, 1 H, J 2.54), 3.62 (d, CH2, 1 H, J 10.9Hz), 4.12 (t, CH2, 1 H, J 9.9Hz), 4.33 (d, CH, 1 H, J 2.7Hz), 4.94 (q, CH, 1 H, J 6.5Hz), 7.07 (t, CH, 2H, J 8.8Hz), 7.37 (s, CH, 2H), 7.51 (t, CH, 2H, J 6.1 Hz), 7.83 (S, CH, 1 H), 11.29 (bs, NH, 2H).
1H NMR
13C NMR
