basic_info |
|
| Product_Name: | 2-FE-BETA-CIT |
| CAS: | 398497-81-9 |
| EnglishSynonyms: | 2-FLUORETHYL ; 8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 3-(4-IODOPHENYL)-8-METHYL-, 2-FLUOROETHYL ESTER, (1R,2S,3S,5S)- ; 3-(4-IODO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID 2-FLUORO-ETHYL ESTER ; 2-FE-BETA-CIT ; 2-FLUORETHYL-BETA-CIT |
| pro_mdlNumber: | MFCD08061455 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OCCF |
| InChi: | InChI=1S/C17H21FINO2/c1-20-13-6-7-15(20)16(17(21)22-9-8-18)14(10-13)11-2-4-12(19)5-3-11/h2-5,13-16H,6-10H2,1H3/t13-,14+,15+,16-/m0/s1 |
| InChiKey: | InChIKey=FWXXADKIJMPYFM-JJXSEGSLSA-N |
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