Basic Information |
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Product Name: | A 80556 |
CAS: | 114676-82-3 |
English Synonyms: | A 80556 |
MDL Number.: | MFCD00913368 |
H bond acceptor: | 6 |
H bond donor: | 2 |
Smile: | C[C@H]1C[C@@H](CN1c2cc3c(cc2F)c(=O)c(cn3c4ccc(cc4F)F)C(=O)O)N.Cl |
InChi: | InChI=1S/C21H18F3N3O3.ClH/c1-10-4-12(25)8-26(10)19-7-18-13(6-16(19)24)20(28)14(21(29)30)9-27(18)17-3-2-11(22)5-15(17)23;/h2-3,5-7,9-10,12H,4,8,25H2,1H3,(H,29,30);1H/t10-,12-;/m0./s1 |
InChiKey: | InChIKey=CDDGYQYMKFYFSM-JGAZGGJJSA-N |
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