oxythiamine

Chemical Formula:

C₁₂H₁₆N₃O₂S

Molecular Weight:

266.337 Daltons

Monoisotopic Mass:

266.0963224634 Daltons

SMILES:

CC1([N+](=CSC=1CCO)CC2(C(O)=NC(=NC=2)C))

InChI:

1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1

InChIKey:

SRDGSXVLAVRBLU-UHFFFAOYSA-O

Synonyms

hydroxythiamine
5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride

Databases

MetaCyc: CPD-15776

ChEBI: 78249

PubChem (CID): 8682

ChemSpider: 8357

MetaNetX: MNXM149150