Structure via PubChem · Public domain (PubChem)
monophosphothiamine
Sign in to saveAlso known as thiamine monophosphate chloride, vitamin B1 phosphate, vitamin B1 monophosphate, monophosphoric ester of thiamine
chemical compound
Chemical data
- Formula
- C12H18ClN4O4PS
- Molecular weight
- 380.79 g/mol
- IUPAC name
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride
- SMILES
- CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-]
- InChIKey
- GUGWNSHJDUEHNJ-UHFFFAOYSA-N
- Polar surface area
- 151 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
2 papers- [Determination of cocarboxylase, monophosphothiamine, triphosphothiamine and thiamine by ion exchange chromatographic separation and spectrophotometric determination].Annali dell'Istituto superiore di sanita · 1968
- [Separation by ion exchange chromatography and spectrophotometric determination of cocarboxylase, monophosphothiamine and thiamine].Annali dell'Istituto superiore di sanita · 1971
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 380.047
Show 5 more facts
- chemical formula
- C₁₂H₁₈ClN₄O₄PS
- canonical SMILES
- CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-]
- Commons category
- Thiamine monophosphate
- World Health Organisation international non-proprietary name
- monophosphothiamine
- subject has role
- vitamin B
Sources (2)
via Wikidata · CC0