Characteristics
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PubChem CID: 6918365 Molecular Formula: C??H??F?N?O? Cell Premeable: Yes Salt form: No Aprepitant is an anti-emetic compound that acts as a selective antagonist of human NK1 receptor (Kis = 3 and 454.1 nM for hNK1 and hNK3, respectively, IC?? = 0.09 nM for hNK1). Its prodrug is Fosaprepitant (Cat. No. 9529). 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
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