ChemicalBook--->CAS DataBase List--->6138-41-6

6138-41-6

6138-41-6 Structure

6138-41-6 Structure
IdentificationMore
[Name]

Trigonelline hydrochloride
[CAS]

6138-41-6
[Synonyms]

1-METHYLPYRIDINIUM-3-CARBOXYLATE HYDROCHLORIDE
N-METHYLNICOTINIC ACID BETAINE HYDROCHLORIDE
TIMTEC-BB SBB000182
TRIGONELLINE HCL
TRIGONELLINE HYDROCHLORIDE
TRIGONELLIN HYDROCHLORIDE
3-carboxy-1-methylpyridinium chloride
Trigonelline chloride
EINECS 228-119-5
1-Methylpyridinium-3-carboxylate hydrochloride, N-Methylnicotinic acid betaine hydrochloride
[EINECS(EC#)]

228-119-5
[Molecular Formula]

C7H8ClNO2
[MDL Number]

MFCD00077250
[Molecular Weight]

173.6
[MOL File]

6138-41-6.mol
Chemical PropertiesBack Directory
[Melting point ]

~260 °C (dec.)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Methanol (Slightly), Water
[form ]

neat
[color ]

White to Off-White
[Merck ]

9694
[BRN ]

3734169
[Stability:]

Hygroscopic
[Major Application]

food and beverages
[InChI]

InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
[InChIKey]

TZSYLWAXZMNUJB-UHFFFAOYSA-N
[SMILES]

C1=[N+](C)C=CC=C1C([O-])=O.[H]Cl
[CAS DataBase Reference]

6138-41-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Trigonelline hydrochloride (N-methylnicotinic acid betaine hydrochloride) is a betaine type pyrimidine alkaloid found in various seeds, including coffee beans. Trigonelline is synthesized from nicotinic acid in many plant species. It has been reported that trigonelline has diverse biological activities, such as hypoglycemic, hypolipidemic, neuroprotective, antimigraine, sedative, memory-improving, antibacterial, antiviral, and anti-tumor activities. (The product is for research purpose only.)
[Chemical Properties]

It is soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from fenugreek.
[Uses]

Trigonelline (chloride) is an alkaloid found in plants and coffee. Trigonelline is a product of niacin metabolism that is excreted in urine.
[in vivo]

Trigonelline chloride decreases bone mineralization and tends to worsen bone mechanical properties in streptozotocin-induced diabetic rats. In nicotinamide/streptozotocin-treated rats, Trigonelline chloride significantly increases bone mineral density (BMD) and tends to improve cancellous bone strength. Trigonelline chloride differentially affects the skeletal system of rats with streptozotocin-induced metabolic disorders, intensifying the osteoporotic changes in streptozotocin-treated rats and favorably affecting bones in the non-hyperglycemic (nicotinamide/streptozotocin-treated) rats[2].

[target]

Beta Amyloid
[IC 50]

HSV-1
[References]

Trigonelline: a plant alkaloid with therapeutic potential for diabetes and central nervous system disease (a review)
J. Zhou, L. Chan, S. Zhou, Curr. Med. Chem. 2012, 19, 3523.
A Review on Biosynthesis, Analytical Techniques, and Pharmacological Activities of Trigonelline as a Plant Alkaloid
N. Mohamadi, F. Sharififar, M. Pournamdari, M. Ansari, J. Dietary Suppl. 2018, 15, 207.
Spectrum DetailBack Directory
[Spectrum Detail]

Trigonelline hydrochloride(6138-41-6)1HNMR
Trigonelline hydrochloride(6138-41-6)13CNMR
Trigonelline hydrochloride(6138-41-6)IR1
Trigonelline hydrochloride(6138-41-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

6138-41-6(sigmaaldrich)
[TCI AMERICA]

Trigonelline Hydrochloride,>98.0%(LC)(T)(6138-41-6)
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