Thiamine monophosphate

CAS Registry Number®

532-40-1

CAS Name

Thiamine monophosphate

Molecular Formula

C12H18N4O4PS.Cl

Cite this Page

Thiamine monophosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=532-40-1 (retrieved 2024-11-22) (CAS RN: 532-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17N4O4PS.ClH/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);1H

InChIKey

InChIKey=GUGWNSHJDUEHNJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Cl-].O=P(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-[2-(phosphonooxy)ethyl]-, chloride (1:1)
  • Thiamine, dihydrogen phosphate (ester)
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-, chloride
  • Phosphoric acid, thiamine ester
  • Thiamine monophosphate

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Deleted or Replaced CAS Registry Numbers

15973-55-4, 51554-70-2, 184170-97-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration