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Substance Name: Thiamine phosphoric acid ester phosphate
RN: 635-97-2
UNII: JS7TVM93UY
InChIKey: CUWOKLAYADTBBR-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-N4-O4-P-S.H2-O4-P

Molecular Weight

  • 442.324
 
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Names and Synonyms

Name of Substance

  • Thiamine phosphoric acid ester phosphate

Synonyms

  • EINECS 211-246-5
  • UNII-JS7TVM93UY

Systematic Name

  • Thiamine phosphate ester dihydrogen phosphate salt

Registry Numbers

CAS Registry Number

  • 635-97-2

FDA UNII

  • JS7TVM93UY

System Generated Number

  • 0000635972

Molecular Formulas

Molecular Formula

  • C12-H18-N4-O4-P-S.H2-O4-P

Molecular Formula Fragments

  • C12-H18-N4-O4-P-S
  • COMPONENT
  • H2-O4-P

Structure Descriptors

InChI

1S/C12H17N4O4PS.H3O4P/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;1-5(2,3)4/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);(H3,1,2,3,4)

InChIKey

CUWOKLAYADTBBR-UHFFFAOYSA-N

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O.OP(=O)(O)[O-]