Basic information
- CAS
39630-39-2- Standard SMILES
COc1cc2c(cc1OC)[C@H]1C[C@H](N)[C@H](C)CN1CC2.Cl.Cl- InChIKey
HYUAAFWMISEIIW-QTOIGMLVSA-N- Molecular formula
- C16H26Cl2N2O2
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 348.1371335
Names & identifiers
- Preferred name
- 11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-3-alpha-methyl-, dihydrochloride
- IUPAC
- (2S,3R,11bR)-9,10-dimethoxy-3-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride
Names & synonyms
39630-39-211bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-3-alpha-methyl-, dihydrochlorideDTXSID20192734Amino-2-alpha methyl-3-alpha dimethoxy-9,10 hexahydro-1,2,3,4,6,7 11-b H benzo(a)quinolizineRefChem:236223DTXCID60115225(2S,3R,11bR)-9,10-Dimethoxy-3-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
39630-39-2- PubChem CID
- 217809
- DTXSID
DTXSID20192734
Properties
Computed structural properties
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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