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68693-11-8

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Basic Information
CAS No.: 68693-11-8
Name: Modafinil
Article Data: 35
Molecular Structure:
Molecular Structure of 68693-11-8 (Modafinil)
Formula: C15H15NO2S
Molecular Weight: 273.356
Synonyms: (?à)-Modafinil;2-(Benzhydrylsulfinyl)acetamide;CEP 1538;CRC 40476;CRL 40476;DEP 1538;Modaphonil;Modiodal;Provigil;2-[(Diphenylmethyl)sulfinyl]-acetamide;
EINECS: 200-835-2
Density: 1.284 g/cm3
Melting Point: 164-166 °C
Boiling Point: 559.135 °C at 760 mmHg
Flash Point: 291.955 °C
Appearance: white to off-white crystalline powder
Hazard Symbols: VeryT+
Risk Codes: 26/27/28
Safety: 24/25-45-36/37/39-22
PSA: 79.37000
LogP: 3.57600
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History

Modafinil is an analeptic drug manufactured by Cephalon.
Modafinil and its chemical precursor adrafinil were developed by Lafon Laboratories, a French company acquired by Cephalon in 2001.

Specification

The Modafinil, with the CAS registry number 68693-11-8, is also known as 2-((Diphenylmethyl)sulfinyl)acetamide. It belongs to the product categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Neurochemicals; Pharmaceuticals. This chemical's molecular formula is C15H15NO2S and molecular weight is 273.35. Its IUPAC name is called 2-benzhydrylsulfinylacetamide. What's more, this chemical's classification codes are Analeptic [treatment of narcolepsy and hypersomnia]; Central Nervous System Agents; Central NervousSystem Stimulants; Neuroprotective Agents; Protective Agents. Modafinil is an analeptic drug.

Physical properties of Modafinil: (1)ACD/LogP: 1.18; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Index of Refraction: 1.646; (6)Molar Refractivity: 77.263 cm3; (7)Molar Volume: 212.898 cm3; (8)Surface Tension: 63.754 dyne/cm; (9)Density: 1.284 g/cm3; (10)Flash Point: 291.955 °C; (11)Enthalpy of Vaporization: 84.138 kJ/mol; (12)Boiling Point: 559.135 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Modafinil: this chemical can be prepared by benzhydrylmercapto-acetic acid amide. This reaction will need reagents aq. H2O2 and acetic acid. The reaction temperature is 40 °C. The yield is about 67%.

Modafinil can be prepared by benzhydrylmercapto-acetic acid amide

Uses of Modafinil: It is widely used off-label to suppress the need for sleep. It is also used off-label in combating general fatigue unrelated to lack of sleep such as in treating ADHD and as an adjunct to antidepressants (particularly in individuals with significant residual fatigue). Modafinil may be also an effective and well-tolerated treatment in patients with seasonal affective disorder/winter depression.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. You should not breathe its dust. What's more, you must avoid contact with skin and eyes. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N
(2)InChI: InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
(3)InChIKey: YFGHCGITMMYXAQ-UHFFFAOYSA-N