Basic information
- CAS
137031-56-2- Standard SMILES
COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(C)CC4)cc1O- InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Overview
Litebamine is a phenanthrol.
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-9,11-dimethoxy-2-methylnaphth(2,1-f)isoquinoline-8,12-diol
- IUPAC
- 9,11-dimethoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol
- English name
- litebamine
- Molecular formula
- C20H21NO4
- Molecular weight
- 339.39
Names & synonyms
Litebamine137031-56-29,11-dimethoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diolDTXSID301600409,11-dimethoxy-2-methyl-3,4-dihydro-1H-naphtho(2,1-f)isoquinoline-8,12-diol9,13-dimethoxy-5-methyl-5-azatetracyclo(8.8.0.0^(2,7).0^(11,16))octadeca-1,7,9,11,13,15,17-heptaene-8,14-diol9,13-dimethoxy-5-methyl-5-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1,7,9,11,13,15,17-heptaene-8,14-diolRefChem:906627DTXCID40825311,2,3,4-Tetrahydro-9,11-dimethoxy-2-methylnaphth(2,1-f)isoquinoline-8,12-diolCHEMBL453173CHEBI:178482
Show more names
Naphth[2,1-f]isoquinoline-8,12-diol, 1,2,3,4-tetrahydro-9,11-dimethoxy-2-methyl-
BDBM502504329,11-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphtho[2,1-f]isoquinoline-8,12-diol1,2,3,4-Tetrahydro-9,11-dimethoxy-2-methylnaphth[2,1-f]isoquinoline-8,12-diol, 9CI9,11-dimethoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-]isoquinoline-8,12-diol
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Experimental & physicochemical properties
Melting Point218 - 220 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 133 · 133-136 °C(Solv: methanol (67-56-1))
- Boiling point
- 565 · 565.0±50.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.20(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesLitebamine is used to synthesize Litebamine N-homologues that exhibit anti-acetylcholinesterase activity.
Additional notes
DefinitionChEBI: Litebamine is a phenanthrol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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