Discuss This Drug

benphothiamine

CHEBI:CHEBI_41039

Definition

A thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation.

Chemical Information

Molecular Formula
C19H23N4O6PS
Molecular Mass
466.44800
Charge
0
SMILES
[H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1
InChI
InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)
InChIKey
BTNNPSLJPBRMLZ-UHFFFAOYSA-N

Alternative Names

  • benfotiamina
  • benfotiamine
  • benfotiaminum
  • Benphothiamine
  • Benzoylthiamine monophosphate
  • Benzoylthiamine O-monophosphate
  • N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate
  • S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate
  • S-Benzoylthiamine monophosphate
  • S-Benzoylthiamine O-monophosphate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
18891
oboInOwl#hasDbXref
Wikipedia:Benfotiamine
core#notation
CHEBI:41039

Additional References

Wikipedia:Benfotiamine

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
18891
oboInOwl#hasDbXref
Wikipedia:Benfotiamine
oboInOwl#hasAlternativeId
CHEBI:31259
oboInOwl#id
CHEBI:41039
core#notation
CHEBI:41039
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_72470
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_18385
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
owl#annotatedSource
t214500
owl#someValuesFrom
t3793734