16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)-
Basic information
- CAS
65085-32-7- Standard SMILES
COc1cc2c(cc1OC)C(C[C@@H]1CCN3CCc4cc(OC)c(OC)cc4[C@@H]3[C@H]1C)=NCC2.Cl.Cl- InChIKey
SNZIYLOYQXTUPM-YRGBPPSBSA-N- Molecular formula
- C28H38Cl2N2O4
- Average molar mass
- 537.5 g/mol
- Monoisotopic mass
- 536.2208631
Names & identifiers
- Preferred name
- 16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)-
- IUPAC
- (1S,2S,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride
Names & synonyms
16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)-65085-32-7DTXSID80215392RefChem:236626DTXCID80137883(1S,2S,11bS)-2-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-1-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline--hydrogen chloride (1/2)
Database identifiers
- CAS
65085-32-7- PubChem CID
- 3049643
- DTXSID
DTXSID80215392
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 717
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Compound notes
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