Title: Cetotiamine
CAS Registry Number: 137-76-8
CAS Name: Thiocarbonic acid O-ethyl ester, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate (ester)
Additional Names: O,S-bis(ethoxycarbonyl)thiamine; O,S-dicarbethoxythiamine; DCET
Molecular Formula: C18H26N4O6S
Molecular Weight: 426.49
Percent Composition: C 50.69%, H 6.14%, N 13.14%, O 22.51%, S 7.52%
Literature References: Prepn: Takamizawa, Hirai, Chem. Pharm. Bull. 10, 1102 (1962); Takamizawa et al., ibid. 1107; Yamamoto et al., Bitamin 25, 472 (1962), C.A. 60, 9773e (1964); GB 944641 (1963 to Shionogi).
Properties: Prisms from ethyl acetate + petr ether, mp 113.5-114.5°.
Melting point: mp 113.5-114.5°
Derivative Type: Hydrochloride monohydrate
Additional Names: Dicethiamin
Trademarks: Dicetamin (Shionogi)
Molecular Formula: C18H26N4O6S.HCl.H2O
Molecular Weight: 480.96
Percent Composition: C 44.95%, H 6.08%, N 11.65%, O 23.29%, S 6.67%, Cl 7.37%
Properties: Crystals from ethyl acetate, dec 122-124°. Sol in water, methanol. Practically insol in ether, benzene.
Therap-Cat: Vitamin B1 source.
Keywords: Enzyme Cofactor; Vitamin/Vitamin Source; Vitamin B1. |