Thiamine triphosphoric acid ester

CAS Registry Number®

3475-65-8
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CAS Name

Thiamine triphosphoric acid ester

Molecular Formula

C12H19N4O10P3S

Cite this Page

Thiamine triphosphoric acid ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3475-65-8 (retrieved 2024-04-26) (CAS RN: 3475-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)

InChIKey

InChIKey=IWLROWZYZPNOFC-UHFFFAOYSA-N

SMILES

C([N+]=1C(C)=C(CCOP(OP(OP(=O)(O)O)(=O)O)(=O)[O-])SC1)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=P(O)(O)OP(=O)(O)OP(=O)([O-])OCCC=1SC=[N+](C1C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-, inner salt
  • Thiamine hydroxide, tetrahydrogen triphosphate (ester), inner salt
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-, inner salt, P,P′,P′′-trioxide
  • Thiamine, triphosphate
  • Thiamine triphosphoric acid ester

Deleted or Replaced CAS Registry Numbers

534-78-1

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