octotiamine octotiamine octotiamine (inn, jan; gerostop, neuvita, neuvitan), also known as thioctothiamine, is an analogue of vitamin b1 which is used in japan and finland. octotiamineclinical dataatc codenoneidentifiers iupac name methyl 6-(acetylsulfanyl)-8--5-hydroxy-2-penten-3-yl]disulfanyl}octanoate cas number137-86-0pubchem cid3034020chemspider2298574uniiun1q7096gacomptox dashboard (epa)dtxsid3057640 chemical and physical dataformulac23h36n4o5s3molar mass544.74 g·mol−13d model (jsmol)interactive image smiles cc1ncc(c(n1)n)cn(c=o)/c(=c(\cco)/ssccc(ccccc(=o)oc)sc(=o)c)/c inchi inchi=1s/c23h36n4o5s3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28h,5-12,14h2,1-4h3,(h2,24,25,26)/b21-16+key:vjtxqhynrdglon-ltgzkzeysa-n