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Substance Name: Thiamine phosphoric acid ester
RN: 495-23-8
UNII: 71F2V60NN0
InChIKey: HZSAJDVWZRBGIF-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N4-O4-P-S

Molecular Weight

  • 344.3303
 
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Names and Synonyms

Name of Substance

  • Thiamine phosphoric acid ester

Synonyms

  • Thiamine ester phosphate
  • Thiamine phosphoric acid ester
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, inner salt
  • UNII-71F2V60NN0

Registry Numbers

CAS Registry Number

  • 495-23-8

FDA UNII

  • 71F2V60NN0

System Generated Number

  • 0000495238

Structure Descriptors

InChI

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

InChIKey

HZSAJDVWZRBGIF-UHFFFAOYSA-N

Smiles

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