| UNSPSC Code | 41116107 |
|---|---|
| NACRES | NA.24 |
| MDL number | MFCD12912491 |
| 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 |
| SMILES string | FC1=CC=C([C@@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC3)N3CC4=NNC(N4)=O)C=C1 |
| InChI key | ATALOFNDEOCMKK-BYYRLHKVSA-N |
| API family | aprepitant |
| storage temp. | 2-8°C |
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