Basic information
- CAS
467-84-5- Standard SMILES
CCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1- InChIKey
LOXCOAXRHYDLOW-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Overview
Phenadoxone is a diarylmethane.
Names & identifiers
- Preferred name
- Phenadoxone
- IUPAC
- 6-morpholin-4-yl-4,4-diphenylheptan-3-one
- English name
- phenadoxone
- Molecular formula
- C23H29NO2
- Molecular weight
- 351.48
Names & synonyms
PhenadoxonePhenodoxoneMorphodoneHeptazoneFenadoxona467-84-5FenadossonePhenadoxonumFenadossone [DCIT]Fenadoxona [INN-Spanish]Phenadoxonum [INN-Latin]Phenadoxone [INN:BAN:DCF]
Show more names
LOXCOAXRHYDLOW-UHFFFAOYSA-N6-Morpholino-4,4-diphenyl-3-heptanone6-morpholino-4,4-di(phenyl)heptan-3-one6-morpholin-4-yl-4,4-di(phenyl)heptan-3-one[S,(+)]-6-Morpholino-4,4-diphenyl-3-heptanone[R,(+)]-6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone[S,(-)]-6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone
4,4-Diphenyl-6-morpholino-3-heptanoneCB-11 FREE BASE6-morpholin-4-yl-4,4-diphenylheptan-3-oneEINECS 207-400-63-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-IDS-NP-005375W3TA42N6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone
Database identifiers
- CAS
467-84-5、751417-63-7、7576-92-3- PubChem CID
- 10089
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Physicochemical properties
- Melting point
- 75 · 75-76°
- pka
- 6.89 · pKa 6.89 (Uncertain)
- FDA UNII
- 375 W3TA42N · 375W3TA42N
- DEA Controlled Substances
- 9637 CSA · CSCN: 9637CSA SCH: Schedule INARC: Yes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 9637CSA SCH: Schedule INARC: Yes
Chemistry & industry
Additional notes
DefinitionChEBI: Phenadoxone is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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