1-(Morpholin-4-yl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)
Basic information
- CAS
26988-01-2- Standard SMILES
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(O)CN1CCOCC1.Cl.Cl.Cl- InChIKey
ASFLUPGQDLVPJI-VWEMNHGVSA-N- Molecular formula
- C36H56Cl3N3O6
- Average molar mass
- 733.2 g/mol
- Monoisotopic mass
- 731.32347
Names & identifiers
- Preferred name
- 1-(Morpholin-4-yl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)
- IUPAC
- 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-morpholin-4-ylpropan-2-ol;trihydrochloride
Names & synonyms
26988-01-2DTXSID209497651-(Morpholin-4-yl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)RefChem:1054716DTXCID7013779462H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-morpholinopropyl)-1-isoquinolyl)methyl)-, trihydrochlorideEmetine, 2'-(2-hydroxy-3-morpholinopropyl)-, trihydrochloride2-Propanol, 1-(4-morpholinyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride
Database identifiers
- CAS
26988-01-2- PubChem CID
- 117348
- DTXSID
DTXSID20949765
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 908
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Compound notes
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