Chem
J-GLOBAL ID：200907086665891013   Nikkaji number：J3.418E

Cycotiamine

シコチアミン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H16N4O3S
Molecular formula furigana： C13-H16-N4-O3-S
Molecular weight： 308.360
InChI： InChI=1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)
InChI key： LLJDJQYGZBQFIF-UHFFFAOYSA-N
SMILES： CC(=C1CCOC(=O)S1)N(Cc1cnc(C)nc1N)C=O
Systematic name  (3)：
  • N-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]-N-[1-(2-オキソ-1,3-オキサチアン-4-イリデン)エチル]ホルムアミド
  • N-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-N-[1-(2-オキソ-1,3-オキサチアン-4-イリデン)エチル]ホルムアミド
  • N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide
Other name (13)：
  • シコチアミン
  • Cycotiamine
  • N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide
  • カルボチアミン
  • Carbothiamine
Show all
CAS registry number： 6092-18-8
Regulation number (2)：
  • LQ0900000
  • 8-(2)-1245
Application (2)：
vitamin B family ,  metabolic drug
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