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Basic information
- CAS
571-70-0- Standard SMILES
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@@H]3O- InChIKey
LAWAARLALKUFQQ-CVDCTZTESA-N- Molecular formula
- C23H25NO4
- Average molar mass
- 379.456 g/mol
- Monoisotopic mass
- 379.17835828
Names & identifiers
- Preferred name
- 3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol
- IUPAC
- (13aS,14R)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol
- English name
- pergularinine
- Molecular formula
- C23H25NO4
- Molecular weight
- 379.45
Names & synonyms
pergularinineDibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, (13aS,14R)-
Database identifiers
- CAS
571-70-0- PubChem CID
- 264751
- DTXSID
DTXSID90972565- ChEMBL
CHEMBL398325- Nikkaji
- J145.305J
Properties
Physicochemical properties
- Boiling point
- 588.472 · 588.472±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.316 · 1.316±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.475 · 13.475±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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