4'-Hydroxypapaverine
Basic information
- CAS
18813-60-0- Standard SMILES
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)ccc1O- InChIKey
NKHOXTRNHKKYSU-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Overview
4'-Desmethylpapaverine is a member of isoquinolines.
Names & identifiers
- Preferred name
- 4'-Hydroxypapaverine
- IUPAC
- 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
- English name
- 4'-hydroxypapaverine
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.35846
Names & synonyms
4'-Hydroxypapaverine18813-60-0DTXSID70172162RefChem:96019DTXCID00946534'-Demethyl Papaverine4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol4'-Desmethylpapaverine4-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-2-methoxyphenolNSC 273753Papaverine Impurity 3DESMETHYLPAPAVERINE, 4'-
Show more names
Papaverine Impurity 24-Desmethyl Papaverine4’-Demethyl PapaverinePapaverine Impurity 19Papaverine impurity N*Phosmet Impurity 2 (Dialifos)4-[(6,7-DiMethoxy-1-isoquinolinyl)Methyl]-2-MethoxyphenolPhenol, 4-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-2-methoxy-
PAPAVERINE, 4'-DESMETHYLCHEBI:188291NSC273753NSC-273753Phenol, 4-((6,7-dimethoxy-1-isoquinolinyl)methyl)-2-methoxy-
Database identifiers
- CAS
18813-60-0- PubChem CID
- 100248
- DTXSID
DTXSID70172162- ChEBI
CHEBI:188291- Nikkaji
- J1.259.971D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- Boiling point
- 504.8 · 504.8±45.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.20(Predicted)
- Comptox DTXSID
- 70172162 · DTXSID70172162
Chemistry & industry
Applications
UsesA metabolite of Papaverine (P190500).
Additional notes
DefinitionChEBI: 4'-Desmethylpapaverine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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