Molecular Weight: 137.14
Molecular Formula: C7H7NO2
Canonical SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC#N
InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey: WWNNZCOKKKDOPX-UHFFFAOYSA-N
Boiling Point: 251.96°C (rough estimate)
Purity: >98%
Application: phytoestrogenic
Synonyms: Trigenolline; N-Methylnicotinate; Caffearine; Gynesine; Coffearine; 1-methylpyridinium-3-carboxylate; Betain nicotinate; Coffearin; Trigonellin; Betaine nicotinate; Nicotinic acid N-methylbetaine; 1-Methylpyridinio-3-carboxylate; Trigenelline; Caffearin; 1-Methyl-3-pyridiniumcarboxylate; N'-Methylnicotinate; 3-Carboxy-1-methylpyridinium hydroxide inner salt; 1-methylnicotinate; N-methyl-nicotinate; 3-Carboxy-1-methylpyridinium hydroxide, inner salt; 3-Carboxy-1-methylpyridinium inner salt; N-Methylnicotinic acid betaine; Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
DescriptionTrigonelline (1-methylpyridinium-3-carboxylate), an alkaloid present in coffee and fenugreek seed, has been reported to exhibit phytoestrogenic activity.
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