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Substance Name: Thiamine thiothiazolone pyrophosphate
RN: 59733-98-1
InChIKey: SYRCOKXTJAASDE-UHFFFAOYSA-N

Note

  • Thiamin pyrophosphate with its thiazole ring altered to thiothiazolone.

Molecular Weight

  • 456.375
 
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Names and Synonyms

Name of Substance

  • Thiamine thiothiazolone pyrophosphate

Synonym

  • TTTPP

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59733-98-1

System Generated Number

  • 0059733981

Structure Descriptors

InChI

1S/C12H18N4O7P2S2/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)27-12(26)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)

InChIKey

SYRCOKXTJAASDE-UHFFFAOYSA-N

Smiles

O=[P@@](OCCc1c(n(c(s1)=S)Cc1c(nc(nc1)C)N)C)(O)OP(=O)(O)O