Basic information
- CAS
92629-87-3- Standard SMILES
CN(C)CC[C@]1(c2ccccc2)CCc2ccccc2C1=O- InChIKey
IOKKIRANVRFSAH-FQEVSTJZSA-N- Molecular formula
- C20H23NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.17796436
Overview
Dexnafenodone is a small molecule drug. Dexnafenodone has a monoisotopic molecular weight of 293.18 Da.
Names & identifiers
- Preferred name
- Dexnafenodone
- IUPAC
- (2S)-2-[2-(dimethylamino)ethyl]-2-phenyl-3,4-dihydronaphthalen-1-one
- English name
- Dexnafenodone
- Molecular formula
- C20H23NO
- Molecular weight
- 293.4
Names & synonyms
DexnafenodoneDexnafenodonaDexnafenodone [INN]92629-87-3(S)-NafenodoneDexnafenodonumNafenodone, (s)-Dexnafenodonum [INN-Latin]Dexnafenodona [INN-Spanish]UNII-601X8G3PCW601X8G3PCWDTXSID60239076
Show more names
Dexnafenodone Free Base(2S)-2β-Phenyl-2-[2-(dimethylamino)ethyl]-3,4-dihydronaphthalene-1(2H)-one
(+)-(S)-2-(2-(Dimethylamino)ethyl)-3,4-dihydro-2-phenyl-1(2H)-naphthalenone(S)-3,4-Dihydro-2-(2-(dimethylamino)ethyl)-2-phenyl-1(2H)-naphthalenone1(2H)-Naphthalenone, 3,4-dihydro-2-(2-(dimethylamino)ethyl)-2-phenyl-, (S)-Dexnafenodonum (INN-Latin)Dexnafenodona (INN-Spanish)1(2H)-NAPHTHALENONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-2-PHENYL-, (2S)-1(2H)-NAPHTHALENONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-2-PHENYL-, (S)-RefChem:132398
Database identifiers
- CAS
92629-87-3- PubChem CID
- 65834
- DTXSID
DTXSID60239076- ChEMBL
CHEMBL2104267- UNII
- 601X8G3PCW
- Nikkaji
- J400.407H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 424.102 · 424.102±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.395 · 9.395±0.28(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 601 X8G3PCW · 601X8G3PCW
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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