basic_info |
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| Product_Name: | 2-CHLORO-11-(4-(2-MANDELOYLOXYETHYL)PIPERAZINO)-10,11-DIHYDRODIBENZO(B ,F)THIEPIN BIS(MALEATE) |
| CAS: | 86490-09-7 |
| EnglishSynonyms: | 2-CHLORO-11-(4-(2-MANDELOYLOXYETHYL)PIPERAZINO)-10,11-DIHYDRODIBENZO(B ,F)THIEPIN BIS(MALEATE) |
| pro_mdlNumber: | MFCD01733004 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | c1ccc(cc1)C(C(=O)OCCN2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChi: | InChI=1S/C28H29ClN2O3S.2C4H4O4/c29-22-10-11-26-23(19-22)24(18-21-8-4-5-9-25(21)35-26)31-14-12-30(13-15-31)16-17-34-28(33)27(32)20-6-2-1-3-7-20;2*5-3(6)1-2-4(7)8/h1-11,19,24,27,32H,12-18H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChiKey: | InChIKey=LYGCRODFOSZYBQ-SPIKMXEPSA-N |
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