Thiamine nitrate

CAS Registry Number®

532-43-4
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CAS Name

Thiamine nitrate

Molecular Formula

C12H17N4OS.NO3

Cite this Page

Thiamine nitrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=532-43-4 (retrieved 2024-03-04) (CAS RN: 532-43-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-200 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1

InChIKey

InChIKey=UIERGBJEBXXIGO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=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]-5-(2-hydroxyethyl)-4-methyl-, nitrate (1:1)
  • Thiamine nitrate (salt)
  • Thiamine nitrate
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)
  • 3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,β-hydroxyethylthiazolium nitrate

Deleted or Replaced CAS Registry Numbers

92739-10-1, 1210110-58-9

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