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Aprepitant

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CATAPS170729803
CAS170729-80-3
Structure
MDL NumberMFCD12912491
SynonymsMK 869, L 754030,5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(Trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one, Aprepitant, MK 0869, 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, [2R-[2alpha(R*),3alpha]]-, Emend, 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one, ONO 7436
IUPAC Name3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular Weight534.43
Molecular FormulaC23H21F7N4O3
Canonical SMILESC[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChIInChI=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
Accurate Mass534.1502
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CATSizeShippingStorage ConditionsDescription
APS170729803-100MG 100MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: British Pharmacopoeia Inquiry
APS170729803-150MG 150MG Room Temperature +5°C Product Format: Neat; API Family: Matrix - API Family See respective official monograph(s); Product Type: API; Subcategory: European Pharmacopoeia (Ph. Eur.) Inquiry
APS170729803-250MG 250MG Room Temperature +5°C Product Format: Neat; API Family: Matrix - API Family Aprepitant; Product Type: API; Subcategory: API standards, Antiemetics, Mikromol Inquiry
APS170729803-10MG 10MG Room Temperature -20°C Freezer Product Format: Neat; Subcategory: Chiral molecules Inquiry
APS170729803-1MG 1MG Room Temperature -20°C Freezer Product Format: Neat; Subcategory: Chiral molecules Inquiry
APS170729803-5MG 5MG Room Temperature -20°C Product Format: Neat; Subcategory: Chiral molecules Inquiry
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