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Aprepitant-d4, TRC
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Quantity:
1 mg
Unit Size:
1mg
Specifications
Specifications
| Chemical Name or Material | Aprepitant-d4 |
| CAS | 1133387-60-6 |
| Purity Grade Notes | HPLC |
| Molecular Formula | C23H17D4F7N4O3 |
| Quantity | 1 mg |
| Synonym | 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl-d4)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one, Emend-d4, L 754030-d4, MK 0869-d4, MK 869-d4, ONO 7436-d4 |
| InChI Formula | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1/i2D,3D,4D,5D |
| SMILES | O=C1NC(CN2CCO[C@H](O[C@H](C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)[C@@H]2C4=C([2H])C([2H])=C(F)C([2H])=C4[2H])=NN1 |
| IUPAC Name | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
| Molecular Weight (g/mol) | 538.45 |
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