Aprepitant

Catalog Number: EI-0210

CAS Number: 170729-80-3

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Specifications

Product Information
Molecular Formula	C₂₃H₂₁F₇N₄O₃
Molecular Weight	534.43
Purity	≥98% by HPLC
SMILES	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
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-/m1/s1
InChi Key	ATALOFNDEOCMKK-OITMNORJSA-N
Alternate Name	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; Emend; L-754,030; MK-869; ONO-7436
Appearance	Off-white solid

Properties
Storage Conditions	-20°C
Shipping Conditions	Gel Pack
Solubility	DMSO (>30 mg/ml)

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