| Identification | Back Directory | [Name]
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]
929046-33-3 | [Synonyms]
NT814
NT-814
NT 814
Elinzanetant
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
Benzeneacetamide, N-[4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)- | [EINECS(EC#)]
629-865-8 | [Molecular Formula]
C33H35F7N4O3 | [MDL Number]
MFCD34589885 | [MOL File]
929046-33-3.mol | [Molecular Weight]
668.66 |
| Chemical Properties | Back Directory | [Boiling point ]
672.1±55.0 °C(Predicted) | [density ]
1.40±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (149.56 mM; Need ultrasonic) | [form ]
Solid | [pka]
14.57±0.10(Predicted) | [color ]
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| |
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