Basic information
- CAS
16562-14-4- Standard SMILES
COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2- InChIKey
JKPISQIIWUONPB-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol is an alkaloid.
Names & identifiers
- Preferred name
- 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,10-diol
- IUPAC
- 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
- English name
- 3,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,10-diol
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.37
Names & synonyms
3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,10-diolRefChem:10662423,9-Dimethoxy-5,8,13,13A-Tetrahydro-6H-Isoquino(3,2-A)Isoquinoline-2,10-DiolD,L-Stepholidine16562-14-4CHEMBL5954896H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-6H-Dibenzo[a,g]quinolizin-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-5,8,13,13a-Tetrahydro-3,9-dimethoxy-Probes1_000256Probes2_000298
Show more names
3,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,10-diol
SCHEMBL460434orb3170487SCHEMBL29943869CHEBI:91837DTXSID00274461(12bS)-4,10-dimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene-3,11-diolBDBM50152837HSCI1_000061
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 120 · 120-1220C
- Boiling point
- 524 · 524.0±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 9.97 · 9.97±0.20(Predicted)
- color
- Light Orange to Pink
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA tetrahydroprotoberberine agonist at dopamine D1 and antagonist at D2 receptors. dyskinesia which is produced by L-DOPA or medicine to treat schizophrenia. Antipsychotics.
UsesA tetrahydroprotoberberine agonist at dopamine D1 and antagonist at D2 receptors. It is used for preventing or treating neural diseases. The neural diseases comprise parkinsonism, schizophrenia and dyskinesia which is produced by L-DOPA or medicine to treat schizophrenia. Antipsychotics.
Suppliers7 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol is an alkaloid.
Related reactions
0 records
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Compound notes
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