2-OH-Npa
Basic information
- CAS
77630-02-5- Standard SMILES
CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3- InChIKey
HLRBSTGXOFUEHW-OAHLLOKOSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Overview
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol is an aporphine alkaloid.
Names & identifiers
- Preferred name
- 2-OH-Npa
- IUPAC
- (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
- English name
- R(-)-2 10 11-trihydroxy-n-propylnor
- Molecular formula
- C19H21NO3
- Molecular weight
- 311.37
Names & synonyms
9XDT3XV7JX2-OH-NPA77630-02-5R-(-)-2,10,11-Trihydroxy-n-propylnorapomorphine2,10,11-Trihydroxy-n-propylnoraporphine, (-)(6aR)-5,6,6a,7-Tetrahydro-6-propyl-4H-dibenzo(de,g)quinoline-2,10,11-triol4H-Dibenzo(de,g)quinoline-2,10,11-triol, 5,6,6a,7-tetrahydro-6-propyl-, (6aR)-RefChem:88883UNII-9XDT3XV7JX(R)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triolCHEMBL288096(6aR)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
Show more names
R(-)-2 10 11-trihydroxy-n-propylnorN-Propyl-O-demethylnormorphothebaine(-)-2,10,11-Trihydroxy-N-propylnoraporphine5,6,6aβ,7-Tetrahydro-6-propyl-4H-dibenzo[de,g]quinoline-2,10,11-triol(6aR)-5,6,6a,7-Tetrahydro-6-propyl-4H-dibenzo[de,g]quinoline-2,10,11-triol(6aR)-5,6,6aβ,7-Tetrahydro-6-propyl-4H-dibenzo[de,g]quinoline-2,10,11-triol4H-Dibenzo[de,g]quinoline-2,10,11-triol, 5,6,6a,7-tetrahydro-6-propyl-, (6aR)-[6aR,(-)]-5,6,6aβ,7-Tetrahydro-6-propyl-4H-dibenzo[de,g]quinoline-2,10,11-triol[6aR,(-)]-2-Hydroxy-5,6,6a,7-tetrahydro-6-propyl-4H-dibenzo[de,g]quinoline-10,11-diol
MLS000860063SMR000326921DTXSID00435151NCGC00015295-01Lopac-D-030Biomol-NT_000074Lopac0_000455BPBio1_001392
Database identifiers
- CAS
77630-02-5- PubChem CID
- 6603798
- DTXSID
DTXSID00435151- ChEMBL
CHEMBL288096- ChEBI
CHEBI:92298- UNII
- 9XDT3XV7JX
- Nikkaji
- J322.344B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 551.3 · 551.3±50.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: dissolve in oxygen-free boiled water containing 0.1% sodium metabisulfite or other antioxidants. Solutions should be freshly prepared.moderately soluble
- form
- solid
- pka
- 9.29 · 9.29±0.20(Predicted)
- color
- light brown
- FDA UNII
- 9 XDT3XV7JX · 9XDT3XV7JX
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Additional notes
DefinitionChEBI: (8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol is an aporphine alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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