11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride

HCID 217811

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Basic information

CAS: 39630-40-5
Standard SMILES: COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](CC(C)C)CN1CC2.Cl.Cl
InChIKey: MQBWUUKPEZHKES-NWPGHJEMSA-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-alpha-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride
IUPAC: (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride

Names & synonyms

39630-40-511bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochlorideRefChem:236221DTXSID40960255(2R,3S,11bS)-9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine--hydrogen chloride (1/2)9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine--hydrogen chloride (1/2)

Database identifiers

CAS: 39630-40-5
PubChem CID: 217811
DTXSID: DTXSID40960255

Properties

Computed structural properties

Topological polar surface area: 47.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 390

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