Thiamine Mononitrate
FEATURES
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NAMES
  • Thiamine Mononitrate
  • Thiamine Nitrate
  • Vitamin B1 Mononitrate
SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=[N+]([O-])[O-]
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
MOLECULAR FORMULA
C12H17N5O4S
CROSS REFERENCES
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Thiamine Mononitrate
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight327.10
AlogP0.37
HBond donors3
HBond acceptors9
Atoms39
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Thiamine Mononitrate.