-
Antiviral API
- Arenavirus
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- Endogenous Metabolite
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- Antiviral intermediates
Trigonelline
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 535-83-1 |
| Description | Trigonelline (1-methylpyridinium-3-carboxylate), an alkaloid present in coffee and fenugreek seed, has been reported to exhibit phytoestrogenic activity. |
Product Information
| Synonyms | Trigonelline;535-83-1;Trigenolline;N-Methylnicotinate;Caffearine;Gynesine;Coffearine;1-methylpyridinium-3-carboxylate;Betain nicotinate;Coffearin;Trigonellin;Betaine nicotinate;Nicotinic acid N-methylbetaine;1-methylpyridin-1-ium-3-carboxylate;1-Methylpyridinio-3-carboxylate;Trigenelline;Caffearin;1-Methyl-3-pyridiniumcarboxylate;N'-Methylnicotinate;3-Carboxy-1-methylpyridinium hydroxide inner salt;CCRIS 1332;CHEBI:18123;1-methylnicotinate;EINECS 208-620-5;N-methyl-nicotinate;UNII-3NQ9N60I00;BRN 3905114;HSDB 7684;3NQ9N60I00;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;DTXSID2026230;5-22-02-00143 (Beilstein Handbook Reference);1-Methyl-Nicotinic Acid Anion(Trigonelline);TRIGONELLINE (USP-RS);TRIGONELLINE [USP-RS];3-Carboxy-1-methylpyridin-1-ium hydroxide;6138-40-5;Trigonelline?;Trigonelline,(S);N'-Methylnicotinic acid;TRIGONELLINE [MI];TRIGONELLINE [HSDB];MLS002153895;SCHEMBL195666;SPECTRUM1500880;CHEMBL350675;DTXCID906230;HMS2096H08;HMS2234K22;HMS3371K21;HY-N0414;BDBM50548713;CCG-38517;MFCD00054262;NSC714350;AKOS005067859;NSC-714350;SDCCGMLS-0066739.P001;NCGC00095649-01;NCGC00095649-02;NCGC00095649-03;NCGC00095649-04;NCGC00095649-07;1ST40340;AC-34290;AS-17722;SMR001233244;AB00052974;CS-0008944;NS00014578;Pyridinium, 3-carboxy-1-methyl-, inner salt;C01004;3-carboxy-1-methyl-Pyridinium hydroxide inner salt;Q928965;3-Carboxy-1-methylpyridinium, Hydroxide, Inner salt;TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED);TrigonellineN-Methylnicotinate; Caffearine; Gynesine;W-105723;TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC]; |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| Molecular Weight | 294.4 |
| Molecular Formula | C17H14N2OS |
| 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% |
| Density | 1.2528 (rough estimate) |
| Appearance | Solid |
| Application | phytoestrogenic |
