Basic information
- CAS
17199-58-5- Standard SMILES
CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1- InChIKey
XBMIVRRWGCYBTQ-XMSQKQJNSA-N- Molecular formula
- C23H31NO2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23547923
Overview
Alphacetylmethadol is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opiates substance.
Names & identifiers
- Preferred name
- Alphacetylmethadol
- IUPAC
- [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
- English name
- Alphacetylmethadol
- Molecular formula
- C23H31NO2
- Molecular weight
- 353.5
Names & synonyms
ALPHACETYLMETHADOLAlfacetilmetadolAlfacetilmetadolo17199-58-5Alphacetylmethadolumalpha-d-AcetylmethadolBXF83S0HELACSCN-9603IDS-NA-008DTXSID70169198alpha-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane(3R,6R)-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane
Show more names
XBMIVRRWGCYBTQ-XMSQKQJNSA-NAcetic acid [1R,4R,(+)]-1-ethyl-4-(dimethylamino)-2,2-diphenylpentyl esterBenzeneethanol, β-[(2R)-2-(dimethylamino)propyl]-α-ethyl-β-phenyl-, 1-acetate, (αR)-
(3R,6R)-6-(Dimethylamino)-4,4-diphenylheptan-3-yl acetateRefChem:111405DTXCID6091689.alpha.-d-acetylmethadolAlphacetylmethadol (INN)ALPHACETYLMETHADOL [INN]AlfacetimethadoneAlfacetilmetadolo [DCIT]
Database identifiers
- CAS
17199-58-5- PubChem CID
- 22308
- DTXSID
DTXSID70169198- ChEMBL
CHEMBL2107793- UNII
- BXF83S0HEL
- Nikkaji
- J9.669E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 456 · 456.0±45.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.50(Predicted)
- FDA UNII
- 83 S0HEL · BXF83S0HEL
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
Chemistry & industry
Pharmacology
Metabolism/MetabolitesAlphacetylmethadol has known human metabolites that include norLAAM.
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…