Basic Information |
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Product Name: | BENZOYLMESACONINE HYDROCHLORIDE |
CAS: | 126266-38-4 |
English Synonyms: | BENZOYLMESACONINE HYDROCHLORIDE ; BENZOYLMESACONINE HYDROCHLORIDE HYDRATE |
MDL Number.: | MFCD08458489 |
H bond acceptor: | 11 |
H bond donor: | 4 |
Smile: | CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@]5([C@H]6OC(=O)c7ccccc7)O)O)OC)O)OC)OC)O)COC.O.Cl |
InChi: | InChI=1S/C31H43NO10.ClH.H2O/c1-32-14-27(15-38-2)18(33)11-19(39-3)30-17-12-28(35)20(40-4)13-29(36,21(24(30)32)22(41-5)23(27)30)31(17,37)26(28)42-25(34)16-9-7-6-8-10-16;;/h6-10,17-24,26,33,35-37H,11-15H2,1-5H3;1H;1H2/t17-,18+,19-,20-,21-,22-,23+,24?,26-,27-,28-,29-,30-,31+;;/m0../s1 |
InChiKey: | InChIKey=XRTSTRVVIFSUJU-AXODCOLYSA-N |
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