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Substance Name: 5-Hydroxy-3,4-bis(hydroxymethyl)-6-methylpyridinium dihydrogen citrate
RN: 4589-04-2
InChIKey: DYAXNXLVEDEAER-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-N-O3.C6-H8-O7

Molecular Weight

  • 361.3011
 
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Names and Synonyms

Synonym

  • EINECS 224-975-9

Systematic Name

  • 5-Hydroxy-3,4-bis(hydroxymethyl)-6-methylpyridinium dihydrogen citrate

Registry Numbers

CAS Registry Number

  • 4589-04-2

System Generated Number

  • 0004589042

Molecular Formulas

Molecular Formula

  • C8-H11-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C6-H8-O7
  • C8-H11-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C8H11NO3.C6H8O7/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,10-12H,3-4H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

DYAXNXLVEDEAER-UHFFFAOYSA-N

Smiles

[n+]1c(c(c(c(c1)CO)CO)O)C.C(CC(=O)O)(CC(=O)[O-])(C(=O)O)O