Basic information
- CAS
17433-39-5- Standard SMILES
CC(=O)SCc1cnc(C)c(O)c1C[NH3+].[Br-]- InChIKey
JGKCCMMOAZUVLK-UHFFFAOYSA-N- Molecular formula
- C10H15BrN2O2S
- Average molar mass
- 307.21 g/mol
- Monoisotopic mass
- 306.00376
Names & identifiers
- Preferred name
- Pyridoxamin-5-thioacetate hydrobromide
- IUPAC
- [5-(acetylsulfanylmethyl)-3-hydroxy-2-methyl-4-pyridinyl]methylazanium bromide
Names & synonyms
Pyridoxamin-5-thioacetat hydrobromid [German]Pyridoxamin-5-thioacetat hydrobromidPyridoxamin-5-thioacetate hydrobromide5-(Acetylthiomethyl)-4-aminomethyl-2-methyl-3-pyridinol hydrobromide4-Aminomethyl-5-mercaptomethyl-2-methyl-3-pyridinol thio acetate hydrobromideAcetic acid, thio-, S-((4-aminomethyl-5-hydroxy-6-methyl-3-pyridyl)methyl) ester, hydrobromide17433-39-5RefChem:377434
Database identifiers
- CAS
17433-39-5- PubChem CID
- 28546
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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