basic_info |
|
| Product_Name: | BZ-DMT-DEOXYADENOSINE 2-CLPH DIESTER TRIETHYLAMMONIUM SALT |
| CAS: | 85381-22-2 |
| EnglishSynonyms: | BZ-DMT-DEOXYADENOSINE 2-CLPH DIESTER TRIETHYLAMMONIUM SALT |
| pro_mdlNumber: | MFCD00036256 |
| pro_acceptors: | 14 |
| pro_donors: | 2 |
| pro_smile: | COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6NC(=O)c7ccccc7)OP(=O)(O)Oc8ccccc8Cl |
| InChi: | InChI=1S/C44H39ClN5O9P/c1-54-33-21-17-31(18-22-33)44(30-13-7-4-8-14-30,32-19-23-34(55-2)24-20-32)56-26-38-37(59-60(52,53)58-36-16-10-9-15-35(36)45)25-39(57-38)50-28-48-40-41(46-27-47-42(40)50)49-43(51)29-11-5-3-6-12-29/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,52,53)(H,46,47,49,51)/t37-,38+,39+/m0/s1 |
| InChiKey: | InChIKey=RQVRZOZADZRFQW-LCKTVPPXSA-N |
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