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Aprepitant-13C2,d2 (Major), TRC

Artikelnummer. 30332969
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1 mg
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30332969 1 mg
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Artikelnummer. 30332969 Leverandør Toronto Research Chemicals Leverandørnr. TRCA7298021MG

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Tekniske data

Kemisk navn eller materiale Aprepitant-13C2,d2
CAS 1217676-37-3
Molekylær formel C2113C2H19D2F7N4O3
Mængde 1 mg
Synonym 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-13C2,d2, Emend-13C2,d2, MK-0869-13C2,d2
InChI formel 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/i1D,11+1,12D,18+1
SMIL O=C1N[13C]([13CH2]N2CCO[C@H](O[C@]([2H])(C[2H])C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)[C@@H]2C4=CC=C(F)C=C4)=NN1
IUPAC navn 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one
Molekylvægt (g/mol) 538.42
Formel vægt 538.1695
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