Basic information
- CAS
17199-55-2- Standard SMILES
CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1- InChIKey
QIRAYNIFEOXSPW-UHFFFAOYSA-N- Molecular formula
- C21H29NO
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.22491455
Overview
Dimepheptanol is a diarylmethane.
Names & identifiers
- Preferred name
- 3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
- IUPAC
- 6-(dimethylamino)-4,4-diphenylheptan-3-ol
- English name
- Alphamethadol
- Molecular formula
- C21H29NO
- Molecular weight
- 311.47
Names & synonyms
DimepheptanolPangerinRacemethadolDimefeptanolBimethadol545-90-4DimefeptanoloDimepheptanolumNIH 2933Acscn-9618NIH-2933NNB4I01PA7
Show more names
AlphamethadolQIRAYNIFEOXSPW-UHFFFAOYSA-NDimepheptanol (1mg/mL in Methanol)6-(dimethylamino)-4,4-di(phenyl)heptan-3-olBenzeneethanol, β-[2-(dimethylamino)propyl]-α-ethyl-β-phenyl-
DTXSID401100313-HEPTANOL, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-RefChem:587997DTXCID4065286Methadol6-(dimethylamino)-4,4-diphenylheptan-3-ol6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANOLIDS-ND-012
Database identifiers
- CAS
17199-55-2、23164-36-5、545-90-4- PubChem CID
- 28397
- DTXSID
DTXSID40110031- ChEMBL
CHEMBL368591- ChEBI
CHEBI:135332- UNII
- NNB4I01PA7
- Nikkaji
- J6.425D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Metabolite of Methadone
LogP4.27
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 437 · 437.0±45.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.56 · 14.56±0.20(Predicted)
- color
- White to Light Yellow
- FDA UNII
- 4 I01PA7 · NNB4I01PA7
- DEA Controlled Substances
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: 9618CSA SCH: Schedule INARC: Yes
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Applications
UsesMethadol is an intermediate in synthesizing Acetylmethadol Hydrochloride (A186330), a synthetic opioid similar in structure to Methadone (M225865, HCl) used in the treatment of opiate dependence. It acts as a u-opioid receptor agonist. It also acts as a potent, noncompetitive a3b4 neuronal nicotinic acetylcholine receptor antagonist.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Dimepheptanol is a diarylmethane.
Related reactions
1 records
Compound notes
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