3,9,10-Trimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino(2,1-B)Isoquinolin-2-Ol
Basic information
- CAS
6487-33-8- Standard SMILES
COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2- InChIKey
KDFKJOFJHSVROC-UHFFFAOYSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16270821
Overview
Tetrahydrocolumbamine is an alkaloid.
Names & identifiers
- Preferred name
- 3,9,10-Trimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino(2,1-B)Isoquinolin-2-Ol
- IUPAC
- 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
- English name
- isocorypalmine
- Molecular formula
- C20H23NO4
- Molecular weight
- 341.4
Names & synonyms
3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol3,9,10-Trimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino(2,1-B)Isoquinolin-2-OlRefChem:1066230(+/-)-IsocorypalmineIsocorypalmine, DL-(R,S)-IsocorypalmineDL-TetrahydrocolumbamineIsocorypalmine, (+/-)-(R,S)-TetrahydrocolumbamineIsocorypalmine DL-form [MI]6487-33-8UNII-YHT108XMMM
Show more names
isocorypalmine6H-Dibenzo[a,g]quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-
YHT108XMMM(+/-)-Alkaloid L from corydalisCHEMBL37804816H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-(+-)-IsocorypalmineSCHEMBL680031Tetrahydrocolumbamine [M+H]+3,9,10-trimethoxyberbin-2-ol
Database identifiers
- CAS
6487-33-8、6989-84-0- PubChem CID
- 10220
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 501.2 · 501.2±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.18 · 10.18±0.20(Predicted)
- FDA UNII
- 108 XMMM · YHT108XMMM
Chemistry & industry
Additional notes
DefinitionChEBI: Tetrahydrocolumbamine is an alkaloid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…