Encyclopedia / Pharmaceutical Intermediates / Hormones and synthetic substitutes / Pharmaceutical

THJ-018

CAS：1364933-55-0
MW:342.4
MF：C23H22N2O

THJ-018, with the chemical formula C23H22N2O and CAS registry number 1364933-55-0, is a compound known as a synthetic cannabinoid. This compound is a designer drug that acts as a potent agonist for the cannabinoid receptors. It is commonly used as a recreational drug, producing effects similar to those of cannabis. THJ-018 is typically sold in the form of a white powder and can be smoked, vaporized, or ingested orally. It is important to note that the use of THJ-018 can have serious health risks, including respiratory problems, cardiovascular issues, and psychological effects. The long-term effects of this compound are still not well understood, and its use is illegal in many countries.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: THJ-018

1.2 Synonyms: 1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone; 5F-MDMB; 6-mapb in stock with safest and quickest delivery; JWH 018 indazole analog; Methanone, 1-naphthalenyl(1-pentyl-1H-indazol-3-yl)-; THJ 018; THJ-018 / THJ-018; THJ-018 THJ-2201; VAKGBPSFDNTMDJ-UHFFFAOYSA-N;

1.3 CAS No.: 1364933-55-0

1.4 CID: 124518671

1.5 Molecular Formula: C23H22N2O

1.6 Inchi: InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3

1.7 InChkey: VAKGBPSFDNTMDJ-UHFFFAOYSA-N

1.8 Canonical Smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)C3=CC=CC4=CC=CC=C43

1.9 Isomers Smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)C3=CC=CC4=CC=CC=C43

2. Properties

2.1 Solubility: Insuluble (8.6E-5 g/L) (25 oC),

2.2 Appearance: Powder and crystal

2.3 pKa: -1.11±0.50(Predicted)

3. Use and Manufacturing

3.1 Description

THJ-018 is a chemical compound with the CAS number 1364933-55-0. It is a synthetic cannabinoid that belongs to the indazole family. THJ-018 appears as a white powder with no distinct odor. Its molecular formula is C23H22N2O. This compound is insoluble in water, but it can dissolve in organic solvents such as ethanol and methanol. Safety information regarding THJ-018 is limited, but it is important to handle this chemical with caution and follow proper safety protocols when working with it.

Applicable Fields

THJ-018 is primarily used in research and forensic applications. Its purpose in these fields is to study the effects and properties of synthetic cannabinoids. The mechanism of action of THJ-018 involves binding to cannabinoid receptors in the brain, which can result in psychoactive effects similar to those of THC, the active compound in cannabis. Researchers and forensic scientists utilize THJ-018 to better understand the pharmacological and toxicological aspects of synthetic cannabinoids.

Storage

ConditionsStore THJ-018 in a cool and dry place, away from direct sunlight.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Computed Properties

Molecular Weight：342.4g/mol
Molecular Formula：C₂₃H₂₂N₂O
Compound Is Canonicalized：True
Exact Mass：6.2
XLogP3-AA：342.173213330
Monoisotopic Mass：342.173213330
Complexity：479
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：34.9
Heavy Atom Count：：26
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAIAAAADAzBngQywPIIAACqA6RyRACSBAAnggAY2CG4ZNgIILLA1dGEpQhgiADIyYcciMCOgAACAAASAAAAAAQAACQAAAAAAAAAAA==