Basic information
- CAS
39630-43-8- Standard SMILES
COc1cc2c(cc1OC)[C@H]1C[C@@H](N)[C@H](CC(C)C)CN1CC2.Cl.Cl- InChIKey
MQBWUUKPEZHKES-YZTBNWTJSA-N- Molecular formula
- C19H32Cl2N2O2
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 390.1840837
Names & identifiers
- Preferred name
- 11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride
- IUPAC
- (2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride
Names & synonyms
39630-43-811bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochlorideRefChem:1057388
Database identifiers
- CAS
39630-43-8- PubChem CID
- 217817
Properties
Computed structural properties
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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