Thiamine nitrate
CAS Registry Number®
532-43-4
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CAS Name
Thiamine nitrateMolecular Formula
C12H17N4OS.NO3Cite this Page
Thiamine nitrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=532-43-4 (retrieved ) (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
