Basic information
- CAS
1948-58-9- Standard SMILES
Cc1ncc(C[n+]2csc(CCOC(=O)c3ccccc3)c2C)c(N)n1.[Cl-]- InChIKey
SANDDEZKGWNINE-UHFFFAOYSA-M- Molecular formula
- C19H21ClN4O2S
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.1073748
Overview
prolongs duration of action potential; RN given refers to parent cpd
Names & identifiers
- Preferred name
- O-Benzoylthiamine
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride
Names & synonyms
O-Benzoylthiamine1948-58-9J37ZV4QZ9PThiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(benzoyloxy)ethyl)-4-methyl-, chlorideThiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-(benzoyloxy)ethyl]-4-methyl-, chlorideRefChem:167144UNII-J37ZV4QZ9PBENZOYLTHIAMINE, O-SCHEMBL3684756DTXSID909412362-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride5-[2-(Benzoyloxy)ethyl]-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
Show more names
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-(benzoyloxy)ethyl]-4-methyl-, chloride (1:1)
Database identifiers
- CAS
1948-58-9- PubChem CID
- 150951
- DTXSID
DTXSID90941236- UNII
- J37ZV4QZ9P
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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