Octotiamine
Title: Octotiamine
CAS Registry Number: 137-86-0
CAS Name: 6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester
Additional Names: 8-[[2-[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamido]-1-(2-hydroxyethyl)propenyl]dithio]-6-mercaptooctanoic acid methyl ester S(or 6)-acetate; S-(3-acetylthio-7-carbomethoxyheptylthio)thiamine; thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
Trademarks: Gerostop (Merckle); Neuvitan (Fujisawa); TATD
Molecular Formula: C23H36N4O5S3
Molecular Weight: 544.75
Percent Composition: C 50.71%, H 6.66%, N 10.28%, O 14.69%, S 17.66%
Literature References: Prepn: Ohara et al., US 3098856 (1963 to Fujisawa).
Properties: Crystals, mp 106-109°. uv max: 234, 277 nm (e 16200, 5820).
Melting point: mp 106-109°
Absorption maximum: uv max: 234, 277 nm (e 16200, 5820)
 
Derivative Type: Hydrochloride
Molecular Formula: C23H36N4O5S3.HCl
Molecular Weight: 581.21
Percent Composition: C 47.53%, H 6.42%, N 9.64%, O 13.76%, S 16.55%, Cl 6.10%
Properties: Crystals from ether + abs ethanol, mp 134.5-135°. uv max: 233 nm (e 23000).
Melting point: mp 134.5-135°
Absorption maximum: uv max: 233 nm (e 23000)
 
Therap-Cat: Vitamin (enzyme cofactor).
Keywords: Enzyme Cofactor; Vitamin/Vitamin Source; Vitamin B1.

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