Flavamine
Basic information
- CAS
15686-60-9- Standard SMILES
CCN(CC)Cc1ccc2oc(-c3ccccc3)c(C)c(=O)c2c1- InChIKey
LJVZNDLLRXZPNO-UHFFFAOYSA-N- Molecular formula
- C21H23NO2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.17287898
Overview
Flavamine is a small molecule drug. Flavamine has a monoisotopic molecular weight of 321.17 Da.
Names & identifiers
- Preferred name
- Flavamine
- IUPAC
- 6-(diethylaminomethyl)-3-methyl-2-phenylchromen-4-one
- English name
- Flavamine
- Molecular formula
- C21H23NO2
- Molecular weight
- 321.41
Names & synonyms
FlavamineFlavamine [INN]Flavamina15686-60-9Flavaminum [INN-Latin]Flavamina [DCIT]Flavaminum6-(diethylaminomethyl)-3-methyl-2-phenylchromen-4-oneUNII-QL5Z51GXKIQL5Z51GXKIREC 7-0052BRN 1321810
Show more names
Rec-7-00526-[(Diethylamino)methyl]-3-methylflavone6-diethylaminomethyl-3-methyl-2-phenyl-chromen-4-one4H-1-Benzopyran-4-one, 6-[(diethylamino)methyl]-3-methyl-2-phenyl-
6-(N-Diethylaminomethyl)-3-methylflavone6-((Diethylamino)methyl)-3-methylflavone3-Methyl-6-(N-diaethylaminomethyl)-flavon [German]6-((Diethylamino)methyl)-3-methyl-4H-benzopyran-4-one3-Methyl-6-(N-diaethylaminomethyl)-flavonFlavone, 6-((diethylamino)methyl)-3-methyl-DTXSID101661465-18-11-00530 (Beilstein Handbook Reference)
Database identifiers
- CAS
15686-60-9- PubChem CID
- 27443
- DTXSID
DTXSID10166146- ChEMBL
CHEMBL2104916- UNII
- QL5Z51GXKI
- Nikkaji
- J8.991E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 448.5 · 448.5±45.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.25(Predicted)
- FDA UNII
- 5 Z51GXKI · QL5Z51GXKI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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