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Ergothioneine · CAS 497-30-3 · C9H16N3O2S+. UNII NS00015041.
| CAS Registry Number | 497-30-3 |
|---|---|
| PubChem CID | 3032312 |
| Molecular formula | C9H16N3O2S+ |
| IUPAC name | [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium |
| UNII (FDA) | NS00015041 |
| Molecular Weight | 230.31 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.09632294 |
| Monoisotopic Mass | 230.09632294 |
| Topological Polar Surface Area | 93.5 |
| Heavy Atom Count | 15 |
| Formal Charge | 1 |
USAF B-26; [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium; Thioeine; NSC7175; THIONEINE (D); Histidine, trimethylbetaine; SCHEMBL175156; Histidine,N-dimethyl-, betaine; SCHEMBL7254628; CHEMBL2004102; SCHEMBL19571061; NSC118378; Ammonium, hydroxide, inner salt, L-(+)-; NS00015041; Ammonium, hydroxide, inner salt, hydrochloride, stereoisomer; 3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethyl-5-azanyl)propanoic acid
CAS 497-30-3; molecular formula C9H16N3O2S+; molecular weight — g/mol.
USAF B-26, [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium, Thioeine, NSC7175, THIONEINE (D), Histidine, trimethylbetaine.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.