Basic Information |
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| Product Name: | 5'-DMT-2'-DEOXY-N-[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]ADENOSINE |
| CAS: | 150033-79-7 |
| English Synonyms: | DMT-DA(TAC) ; 5'-DMT-2'-DEOXY-N-[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]ADENOSINE |
| MDL Number.: | MFCD23380187 |
| H bond acceptor: | 12 |
| H bond donor: | 2 |
| Smile: | CC(C)(C)c1ccc(cc1)OCC(=O)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COC(c5ccccc5)(c6ccc(cc6)OC)c7ccc(cc7)OC)O |
| InChi: | InChI=1S/C43H45N5O7/c1-42(2,3)28-11-21-34(22-12-28)53-25-37(50)47-40-39-41(45-26-44-40)48(27-46-39)38-23-35(49)36(55-38)24-54-43(29-9-7-6-8-10-29,30-13-17-32(51-4)18-14-30)31-15-19-33(52-5)20-16-31/h6-22,26-27,35-36,38,49H,23-25H2,1-5H3,(H,44,45,47,50)/t35-,36+,38+/m0/s1 |
| InChiKey: | InChIKey=JCASVUSNFCRKSK-QOZRZDGHSA-N |
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