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Substance Name: 2-(1-Hydroxyethyl)thiamine pyrophosphate
RN: 20319-27-1
InChIKey: GFOZNKHLFXWLSX-UHFFFAOYSA-N

Molecular Formula

  • C14-H23-N4-O8-P2-S.Cl

Molecular Weight

  • 504.823
 
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Names and Synonyms

Name of Substance

  • 2-(1-Hydroxyethyl)thiamine pyrophosphate

Synonyms

  • Hydroxyethylthiamin pyrophosphate
  • Ohet-tpp

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide

Registry Numbers

CAS Registry Number

  • 20319-27-1

System Generated Number

  • 0020319271

Molecular Formulas

Molecular Formula

  • C14-H23-N4-O8-P2-S.Cl

Molecular Formula Fragments

  • C14-H23-N4-O8-P2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22N4O8P2S.ClH/c1-10-13(3-4-24-5-6-25-28(22,23)26-27(19,20)21)29-9-18(10)8-12-7-16-11(2)17-14(12)15;/h7,9H,3-6,8H2,1-2H3,(H4-,15,16,17,19,20,21,22,23);1H

InChIKey

GFOZNKHLFXWLSX-UHFFFAOYSA-N

Smiles

O(CCc1sc[n+](Cc2c(N)nc(nc2)C)c1C)CCO[P@@](=O)(O)OP(=O)(O)O.[ClH-]