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[13C6]-Fosaprepitant

Chemical Name [13C6]-Fosaprepitant
CAT No. CS-EK-01741
CAS Registry# 172673-20-0 unlabeled
Status price
Category Stable Isotopes
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Controlled No

Additional Information


Controlled No
Parent API Aprepitant
Canonical Smiles CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F
InchIKey BARDROPHSZEBKC-OITMNORJSA-N
Inchl InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1
IUPAC [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
Hazardous No


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