Chem
J-GLOBAL ID：200907058057678770   Nikkaji number：J2.026.404G

Thiamin thiazolone diphosphate

チアミンチアゾロン二りん酸
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： C12H18N4O8P2S
Molecular formula furigana： C12-H18-N4-O8-P2-S
Molecular weight： 440.300
InChI： InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)
InChI key： ZGJUYGIRPQSCFA-UHFFFAOYSA-N
SMILES： Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc(=O)n1Cc1cnc(C)nc1N
Systematic name  (3)：
  • 二りん酸α-[2-[2-オキソ-3-[(2-メチル-4-アミノ-5-ピリミジニル)メチル]-4-メチル-2,3-ジヒドロチアゾール-5-イル]エチル]
  • {[(2-{3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-4-メチル-2-オキソ-2,3-ジヒドロ-1,3-チアゾール-5-イル}エトキシ)(ヒドロキシ)ホスホリル]オキシ}ホスホン酸
  • {[(2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (3)：
  • Diphosphoric acid α-[2-[2-oxo-3-[(2-methyl-4-amino-5-pyrimidinyl)methyl]-4-methyl-2,3-dihydrothiazole-5-yl]ethyl] ester
  • チアミンチアゾロン二りん酸
  • Thiamin thiazolone diphosphate
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