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Substance Name: Thiamine thiazolone pyrophosphate
RN: 59733-97-0
InChIKey: ZGJUYGIRPQSCFA-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-N4-O8-P2-S

Molecular Weight

  • 440.308
 
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Names and Synonyms

Name of Substance

  • Thiamine thiazolone pyrophosphate

Synonym

  • Thiamine thiazolone diphosphate

Systematic Name

  • Diphosphoric acid, mono(2-(3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-2,3-dihydro-4-methyl-2-oxo-5-thiazolyl)ethyl) ester

Registry Numbers

CAS Registry Number

  • 59733-97-0

System Generated Number

  • 0059733970

Structure Descriptors

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)

InChIKey

ZGJUYGIRPQSCFA-UHFFFAOYSA-N

Smiles

c1(C)ncc(c(N)n1)Cn1c(sc(CCO[P@@](O)(=O)OP(O)(=O)O)c1C)=O