Basic Information |
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Product Name: | (R)-4-(5-CHLOROBENZO[D]OXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-IUM (2S,3S)-2,3-BIS(BENZOYLOXY)-3-CARBOXYPROPANOATE |
CAS: | 1276666-14-8 |
English Synonyms: | (R)-4-(5-CHLOROBENZO[D]OXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-IUM (2S,3S)-2,3-BIS(BENZOYLOXY)-3-CARBOXYPROPANOATE |
MDL Number.: | MFCD22124910 |
H bond acceptor: | 8 |
H bond donor: | 2 |
Smile: | C[C@@H]1CCN(CCN1)c2nc3cc(ccc3o2)Cl.c1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O |
InChi: | InChI=1S/C18H14O8.C13H16ClN3O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-9-4-6-17(7-5-15-9)13-16-11-8-10(14)2-3-12(11)18-13/h1-10,13-14H,(H,19,20)(H,21,22);2-3,8-9,15H,4-7H2,1H3/t13-,14-;9-/m01/s1 |
InChiKey: | InChIKey=OSFQCLZNGBBZSC-WYELKWRUSA-N |
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