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61407

Supelco

Trigonelline hydrochloride

analytical standard

Synonym(s):

1-Methylpyridinium-3-carboxylate hydrochloride, N-Methylnicotinic acid betaine hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C7H7NO2 · HCl
CAS Number:
6138-41-6
Molecular Weight:
173.60
Beilstein:
3734169
EC Number:
228-119-5
MDL number:
MFCD00077250
UNSPSC Code:
85151701
PubChem Substance ID:
329759478
NACRES:
NA.24

grade

analytical standard

Quality Level

100

Assay

≥98.5% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤1.0% water

application(s)

food and beverages

format

neat

SMILES string

[Cl-].C[n+]1cccc(c1)C(O)=O

InChI

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

InChI key

TZSYLWAXZMNUJB-UHFFFAOYSA-N

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Application

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WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Joanna Makowska et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 968, 101-104 (2014-01-01)
For trigonelline, a quaternary-base pyridine alkaloid of presumed Alzheimer's disease-preventing activity, a method of determination has been proposed, based on the hydrophilic interaction chromatography (HILIC). That method might be applied to study the agent's bioavailability, in particular its permeation through
Kouichi Mizuno et al.
Biochemical and biophysical research communications, 452(4), 1060-1066 (2014-09-23)
Trigonelline (N-methylnicotinate), a member of the pyridine alkaloids, accumulates in coffee beans along with caffeine. The biosynthetic pathway of trigonelline is not fully elucidated. While it is quite likely that the production of trigonelline from nicotinate is catalyzed by N-methyltransferase

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