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ent-Aprepitant-13C15N2

CAT: 0572-TRC-A729792-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A729792-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Hazard Statement
No Data Available
Smiles
C[C@H](O[C@@H]1OCCN(CC2=[15N][15NH][13C](=O)N2)[C@@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
Molecular Formula
13C C22 H21 F7 15N2 N2 O3
Molecular Weight
537.406
InChI
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-/m0/s1/i21+1,32+1,33+1
Additionnal Information
IUPAC name: 3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-(513C,1,2-15N2)1,4-dihydro-1,2,4-triazol-5-one
Shipping Conditions
Room Temperature

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