TL;DR: 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) (CAS 13903-43-0) is a chemical compound with molecular formula C29H42Br2N2O4 and molecular weight 640.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,11bS)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrobromide
Also Known As: Dihydrobromide (+-)emetine, (+-)-Emetine dihydrobromide, Emetine, dihydrobromide (+-)-, Emetine, dihydrobromide, (.+.)-, Emetan, 6',7',10,11-tetramethoxy-, dihydrobromide, (+-)-
| Molecular Formula | C29H42Br2N2O4 |
| Molecular Weight | 640.1511 g/mol |
| XLogP | 6.0992 |
| Topological Polar Surface Area (TPSA) | 52.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 640.1511 Da |
| Heavy Atoms | 37 |
| Complexity | 679.0 |
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Br.Br |
| InChIKey | YLESEPCUQJKIPQ-JLXBEYCHSA-N |
The XLogP value of 6.0992 indicates that 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) is 13903-43-0.
The molecular formula of 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) is C29H42Br2N2O4.
The molecular weight of 6',7',10,11-Tetramethoxyemetan--hydrogen bromide (1/2) is 640.1511 g/mol.
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