Basic Information |
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Product Name: | ADENOSINE AMINE CONGENER HYDRATE |
English Synonyms: | ADAC HYDRATE ; ADENOSINE AMINE CONGENER HYDRATE ; N6-[4-[[[4-[[[(2-AMINOETHYL)AMINO]CARBONYL]METHYL]-ANILINO]CARBONYL]METHYL]PHENYL]ADENOSINE HYDRATE |
MDL Number.: | MFCD11045962 |
H bond acceptor: | 14 |
H bond donor: | 7 |
Smile: | c1cc(ccc1CC(=O)Nc2ccc(cc2)CC(=O)NCCN)Nc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O.O |
InChi: | InChI=1S/C28H32N8O6.H2O/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28;/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35);1H2/t20-,24-,25-,28-;/m1./s1 |
InChiKey: | InChIKey=KPSYUNGHYKDIMQ-LWOJYUBXSA-N |
Property |
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Safety information |
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WGK Germany: | 3 |
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