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Ростовский Государственный Медицинский Университет

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THEBAINE

IUPAC Name: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-

4,12-methanobenzofuro[3,2-e]isoquinoline

Molecular Structure:

Physical Properties:

 Appearance: White or cream-colored crystalline powder

 Color: White to cream

 Odor: Faint, slightly ammoniacal

 Taste: Bitter

 Melting Point: 197°C (387°F)

 Boiling Point: Decomposes before boiling

 Molar Mass: 311.37 g/mol

Solubility:

 Water: Slightly soluble

 Alcohol: More soluble than in water

Chemical Properties:

 Chemical Formula: C₁₉H₂₁NO₃

 Chemical Classification: Opiate alkaloid

 Functional Groups: Phenolic hydroxyl group, methyl enol ether, tertiary

amine

 pH: Weakly basic (due to the tertiary amine group)

Source and Production: Natural source: Thebaine is found in opium poppy

(Papaver somniferum) but constitutes only a small percentage (0.5-5%).

 Extraction: It's extracted from opium, either directly or through

subsequent chemical modifications.

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 Synthetic methods: Thebaine can also be synthesized from other opium

alkaloids like morphine.

Route of Administration:

 Not used therapeutically due to its adverse effects.

 However, in research settings, it may be administered orally,

subcutaneously, or intravenously.

Pharmacological Actions:

 Unlike morphine and codeine, it has primarily excitatory effects, not

analgesic.

 Stimulates the central nervous system, causing:

 Restlessness

 Anxiety

 Seizures

 Hallucinations

 Respiratory depression at high doses

 Binds to opioid receptors, but with different activity profiles than

morphine.

Analysis:

Physical method

 Melting Point Determination: Determining the melting point of thebaine

can provide valuable information about its purity. The melting point is a

characteristic property that can be compared with known values to

confirm the identity of the compound.

 Optical Rotation: Optical rotation measures the rotation of plane-polarized

light as it passes through a solution of thebaine. The specific rotation can

provide information about the purity and specific optical activity of the

compound.

 X-ray Powder Diffraction (XRPD): XRPD is a technique used to analyze the

crystalline structure of thebaine. It involves directing X-rays at a

powdered sample of thebaine and measuring the diffraction pattern

produced. This method can provide information about the crystal

structure and phase purity of thebaine.

 Microscopy: Microscopic examination of thebaine crystals or powder can

reveal details about its morphology, such as crystal shape, size, and

surface characteristics. This method can aid in the identification and

characterization of thebaine samples.

 Solubility Testing: Determining the solubility of thebaine in various

solvents at different temperatures can provide information about its

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physical properties. This method can be useful for preliminary

characterization and identification purposes.

Chemical method

High Performance Liquid Chromatography (HPLC):

 HPLC is widely used for the quantitative analysis of thebaine in

pharmaceuticals, forensic samples, and natural sources.

 It separates thebaine from other components in a mixture based on its

interaction with a stationary phase and a mobile phase.

 Detection can be achieved using UV-Vis spectroscopy or mass

spectrometry (MS), which provides accurate quantification and

identification.

Gas Chromatography-Mass Spectrometry (GC-MS):

 GC-MS is another powerful method for analyzing thebaine, especially in

complex mixtures.

 GC separates thebaine from other compounds based on their volatility,

and MS detects and identifies the separated compounds by their mass-to-

charge ratio.

 This method offers high sensitivity and specificity for the identification

and quantification of thebaine.

Nuclear Magnetic Resonance (NMR) Spectroscopy:

 NMR spectroscopy is invaluable for the structural elucidation and

qualitative analysis of thebaine.

 It provides information about the connectivity of atoms, molecular

dynamics, and can confirm the presence of specific functional groups

characteristic of thebaine.

Infrared Spectroscopy (IR):

 IR spectroscopy can be used for qualitative analysis of thebaine by

identifying functional groups present in the molecule.

 It provides information about molecular vibrations and can confirm the

presence of specific bonds characteristic of thebaine.

UV-Vis Spectroscopy:

 UV-Vis spectroscopy can be used for qualitative and quantitative analysis

of thebaine by measuring its absorbance at specific wavelengths.

 This method is useful for determining the concentration of thebaine in

solution and can complement other analytical techniques.

Thin-Layer Chromatography (TLC):

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 TLC can be employed for the qualitative analysis and separation of

thebaine from other substances in a mixture.

 It involves separating the components of a mixture based on their affinity

to a stationary phase on a thin layer, followed by visualization under UV

light or by chemical staining.

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THIOPENTAL

Scientific Name: Sodium thiopental

IUPAC Name: Sodium 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-

dione

IUPAC Name: 5-(1-methylbutyl)-1,2-dithiolium-3-carboxylate-sodium

Molecular Structure:

Physical Properties:

 Appearance: Colorless to white, crystalline powder

 Odor: Odorless

 Taste: Bitter

 Melting Point: 164-167°C

 Boiling Point: Decomposes before boiling

 Molar Mass: 242.29 g/mol

Solubility:

 Water: Slightly soluble (~2% at 25°C)

 Alcohol: Freely soluble

Chemical Properties:

 Chemical Formula: NaC₁₁H₁₇N₂O₂S₂

 Chemical Classification: Thiobarbiturate, Barbiturate

 pH: Aqueous solution is alkaline (pH ~9.5)

Functional Groups:

 Thioether (-S-)

 Carboxylic acid (-COOH)

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 Sodium cation (Na+)

Production and Sources:

 Thiopental is primarily synthesized in a laboratory setting through multi-

step chemical reactions involving various precursor molecules.

 It is not generally extracted from natural sources.

Route of Administration: Thiopental is exclusively administered intravenously

(into a vein).

Pharmacological Action: Thiopental acts as a central nervous system (CNS)

depressant, inhibiting GABA receptors in the brain. This leads to:

 Rapid onset of unconsciousness (within 30-45 seconds)

 Skeletal muscle relaxation

 Anticonvulsant effect (suppressing seizures)

 Decreased intracranial pressure

Analysis:

 Chromatography: This is a technique that separates different components

of a mixture based on their size, charge, or other properties. High-

performance liquid chromatography (HPLC) is a commonly used method

for analyzing thiofentanyl.

 Mass spectrometry: This technique identifies molecules based on their

mass and charge. It is a very sensitive and accurate method for analyzing

thiofentanyl and other drugs.

 Spectroscopy: This technique analyzes the interaction of molecules with

light or other forms of radiation. Infrared (IR) spectroscopy and nuclear

magnetic resonance (NMR) spectroscopy are two common methods used

to analyze thiofentanyl.

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TILIDINE

Scientific Name: Tilidine hydrochloride

IUPAC Name: (1S,2R)-tilidine (dextilidine; top),(1R,2S)-tilidine (bottom)

Molecular Structure:

Physical Properties:

 Appearance: White crystalline powder

 Color: White

 Odor: Odorless

 Taste: Bitter

 Melting point: 213-216°C

 Boiling point: Decomposes before boiling

 Molar mass: 291.77 g/mol

Solubility:

 Water: Moderately soluble (1.2 g/L at 25°C)

 Alcohol: Highly soluble (24 g/L in ethanol at 25°C)

Chemical Properties:

 Chemical Formula: C17H23NO2·HCl

 Chemical Classification: Opioid analgesic

 pH: 4.5-5.5 (5% aqueous solution)

Functional Groups:

 Carboxylic acid

 Amine

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 Aromatic ring

Source and Production:

 Tilidine is not found naturally and is synthesized in a laboratory.

 The exact production process is proprietary and not publicly disclosed.

Route of Administration:

 Oral (tablets, capsules, drops)

 Sublingual (tablets)

 Parenteral (injection)

Pharmacological Action:

 Tilidine is a weak opioid analgesic that binds to mu-opioid receptors in the

central and peripheral nervous system.

 This binding inhibits pain transmission and perception, resulting in pain

relief.

 Tilidine is a prodrug, meaning it needs to be metabolized in the liver to its

active metabolite, nortilidine, which is responsible for the analgesic effect.

Analysis:

Physical method

Melting Point Determination:

 Principle: Determines the temperature at which Tilidine changes from a

solid to a liquid phase.

 Method: Tilidine sample is heated gradually, and the temperature range

over which melting occurs is recorded.

 Application: Helps verify the purity and identity of Tilidine by comparing

experimental melting points with known values.

Thermal Analysis:

 Techniques: Includes Differential Scanning Calorimetry (DSC) and

Thermogravimetric Analysis (TGA).

 Principle: DSC measures heat flow associated with phase transitions

(melting, crystallization), while TGA measures weight change with

temperature (decomposition).

 Application: Provides information on thermal behavior, purity, and

stability of Tilidine.

Particle Size Analysis:

 Techniques: Such as Laser Diffraction, Dynamic Light Scattering (DLS), or

Microscopy.

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 Principle: Measures the size distribution of Tilidine particles.

 Application: Important for pharmaceutical formulations and ensuring

consistent quality and performance.

Surface Area Analysis:

 Techniques: Often involves BET (Brunauer-Emmett-Teller) surface area

analysis.

 Principle: Measures the specific surface area of Tilidine particles.

 Application: Helps understand drug formulation properties and

absorption characteristics.

Density Measurement:

 Principle: Determines the mass per unit volume of Tilidine.

 Method: Utilizes techniques like gas pycnometry or liquid displacement

methods.

 Application: Assists in calculating dosages and understanding formulation

properties.

Solubility Studies:

 Principle: Evaluates how Tilidine dissolves in various solvents or buffers.

 Method: Conducted by observing the dissolution profile or concentration

changes over time.

 Application: Important for drug delivery systems and formulation

development.

Powder X-ray Diffraction (XRD):

 Principle: Analyzes the crystalline structure of Tilidine.

 Method: X-rays are diffracted by the crystal lattice, producing a diffraction

pattern that identifies the crystalline phases.

 Application: Confirms the crystalline form and can detect polymorphism

in Tilidine.

Chemical method

High Performance Liquid Chromatography (HPLC):

 HPLC is extensively used for the quantitative analysis of tilidine in

pharmaceutical formulations and biological samples.

 It separates tilidine from other components in a mixture based on its

interaction with a stationary phase and a mobile phase.

 Detection can be achieved using UV-Vis spectroscopy or mass

spectrometry (MS), providing accurate quantification and identification.

Gas Chromatography-Mass Spectrometry (GC-MS):

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 GC-MS is another powerful method for analyzing tilidine, especially in

forensic and toxicological applications.

 GC separates tilidine from other compounds based on their volatility, and

MS detects and identifies the separated compounds by their mass-to-

charge ratio.

 This method offers high sensitivity and specificity for the identification

and quantification of tilidine.

Nuclear Magnetic Resonance (NMR) Spectroscopy:

 NMR spectroscopy is crucial for the structural elucidation and qualitative

analysis of tilidine.

 It provides information about the connectivity of atoms, molecular

dynamics, and can confirm the presence of specific functional groups

characteristic of tilidine.

Infrared Spectroscopy (IR):

 IR spectroscopy can be used for qualitative analysis of tilidine by

identifying functional groups present in the molecule.

 It provides information about molecular vibrations and can confirm the

presence of specific bonds characteristic of tilidine.

UV-Vis Spectroscopy:

 UV-Vis spectroscopy can be employed for qualitative and quantitative

analysis of tilidine by measuring its absorbance at specific wavelengths.

 This method is useful for determining the concentration of tilidine in

solution and can complement other analytical techniques.

Thin-Layer Chromatography (TLC):

 TLC can be used for the qualitative analysis and separation of tilidine from

other substances in a mixture.

 It involves separating the components of a mixture based on their affinity

to a stationary phase on a thin layer, followed by visualization under UV

light or by chemical staining.

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