CEPHAELINE HCL
(1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride
Also Known As: CEPHAELINE HCL, Cephaleine hydrochloride, Cephaeline, dihydrochloride, CEPHAELINE HYDROCHLORIDE, (-)-Cephaeline dihydrochloride, CEPHAELINE DIHYDROCHLORIDE, EINECS 227-463-3, 7',10,11-Trimethoxyemetan-6'-ol dihydrochloride, Emetan-6'-ol, 7',10,11-trimethoxy-, dihydrochloride, (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride
| Molecular Formula | C28H40Cl2N2O4 |
|---|---|
| Molecular Weight | 538.2365 g/mol |
| LogP | -3.79 |
| Topological Polar Surface Area | 68.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.2365 |
| Heavy Atoms | 36 |
| Complexity | 1050 |
Chemical Identifiers
| CAS Number | 3738-70-3 |
|---|---|
| SMILES | CC[C@H]1C[NH+]2CCC3=CC(=C(C=C3C2CC1C[C@@H]4C5=CC(=C(C=C5CC[NH2+]4)O)OC)OC)OC.[Cl-].[Cl-] |
Product Overview
CEPHAELINE HCL (CAS 3738-70-3), with molecular formula C28H40Cl2N2O4 and molecular weight 538.2365 g/mol. IUPAC: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride.
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