CAS Registry Number®
532-43-4
CAS Name
Thiamine nitrate
Molecular Formula
C12H17N4OS.NO3
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
C([N+]=1C(C)=C(CCO)SC1)C=2C(N)=NC(C)=NC2.N(=O)(=O)[O-]
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
- Aneurine mononitrate
- Betabion mononitrate
- Thiamine mononitrate
- Vitamin B1 mononitrate
- Vitamin B1 nitrate
- Aneurine-nitrate
Deleted or Replaced CAS Registry Numbers
92739-10-1, 1210110-58-9
