6-(Dimethylamino)-4,4-diphenylheptan-3-one;hydron;chloride

Base Information

• Chemical Name: 6-(Dimethylamino)-4,4-diphenylheptan-3-one;hydron;chloride
• CAS No.: 1095-90-5
• Molecular Formula: C21H27NO^.HCl
• Molecular Weight: 345.912
• Hs Code.: 2922310000
• Mol file: 1095-90-5.mol

Synonyms:

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Chemical Property of 6-(Dimethylamino)-4,4-diphenylheptan-3-one;hydron;chloride

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.59E-09mmHg at 25°C
• Melting Point: 232-2340C
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 423.7 °C at 760 mmHg
• Flash Point: 126.5 °C
• PSA: 17.07000
• Density: 1.0103 (rough estimate)
• LogP: 1.25300
• Storage Temp.: 2-8°C
• Solubility.: Soluble in water, freely soluble in ethanol (96 per cent)
• Water Solubility.: 120 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 345.1859422
• Heavy Atom Count: 24
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s): T, F
• Hazard Codes: T,F
• Statements: 25-39/23/24/25-23/24/25-11
• Safety Statements: 45-36/37-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
• Description: (±)-Methadone (hydrochloride) (Item No. ISO00145) is an analytical reference material categorized as an opioid. (±)-Methadone has analgesic activity. Formulations containing (±)-methadone have been used in the treatment of opioid addiction. (±)-Methadone is regulated as a Schedule II compound in the United States. This product is intended for research and forensic applications.
• Uses: Controlled substance (opiate). Methadone hydrochloride is used in treatment of opioid dependence.
• Therapeutic Function: Narcotic analgesic
• Clinical Use: Treatment of opioid drug addiction Analgesic for moderate to severe pain
• Drug interactions: Metabolised in the liver to the Potentially hazardous interactions with other drugs Analgesics: possible opioid withdrawal with buprenorphine and pentazocine. Antibacterials: metabolism increased by rifampicin; increased risk of ventricular arrhythmias with delamanid and telithromycin. Antidepressants: concentration possibly increased by fluoxetine, fluvoxamine, paroxetine and sertraline; possible CNS excitation or depression with MAOIs and moclobemide - avoid; possibly increased sedative effects with tricyclics; concentration possibly reduced by St John's wort. Antiepileptics: concentration reduced by carbamazepine, phenobarbital and phenytoin. Antifungals: concentration increased by fluconazole, ketoconazole, voriconazole and possibly itraconazole - may need to reduce methadone dose with voriconazole, avoid with ketoconazole. Antihistamines: increased sedative effects with sedating antihistamines. Antimalarials: increased risk of ventricular arrhythmias with piperaquine with artenimol - avoid. Antipsychotics: enhanced hypotensive and sedative effects; increased risk of ventricular arrhythmias with antipsychotics that prolong the QT interval - avoid with amisulpride. Antivirals: methadone possibly increases concentration of zidovudine; concentration reduced by efavirenz, fosamprenavir and ritonavir; concentration possibly reduced by abacavir, nevirapine and rilpivirine; concentration possibly affected by boceprevir; concentration of didanosine possibly reduced; increased risk of ventricular arrhythmias with saquinavir and telaprevir - avoid with saquinavir and use with caution with telaprevir. Atomoxetine: increased risk of ventricular arrhythmias. Cytotoxics: possible increased risk of ventricular arrhythmias with bosutinib, ceritinib, panobinostat and vandetanib. Dopaminergics: avoid with selegiline. Nalmefene: avoid concomitant use. Sodium oxybate: enhanced effect of sodium oxybate - avoid