Basic information
- CAS
478-14-8- Standard SMILES
COc1cc2c(c(O)c1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2- InChIKey
GSPIMPLJQOCBFY-UHFFFAOYSA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1732729
Overview
capaurine has been reported in Corydalis pallida and Uvaria with data available.
Names & identifiers
- Preferred name
- Capauridin
- IUPAC
- 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
- English name
- CAPAURINE
- Molecular formula
- C21H25NO5
- Molecular weight
- 371.43
Names & synonyms
CapauridinRefChem:10807592,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinolin-1-olCapauridine478-15-9MLS00292013713aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI)Capaurine, (+-)-NSC 132059Capaurine, dl-BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-, DL-(.+-.)-Capaurine
Show more names
Berbin-1-ol, 2,3,9,10-tetramethoxy-, (.+-.)-6H-Dibenzo[A,G]quinolizin-1-ol, 5,8,13,13A-tetrahydro-2,3,9,10-tetramethoxy-, (.+-.)-
Capaurine, (.+-.)-SCHEMBL679768NSC132059NSC404532NSC-132059NSC-4045326H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (+-)-SMR001797734
Database identifiers
- CAS
478-14-8、478-15-9- PubChem CID
- 10165
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 208 °C · 208°C
- Boiling point
- 501.11 °C · 501.11°C (rough estimate)
- Density
- 1.235 · 1.2350 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 9.48 · 9.48±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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