Acefurtiamine

Acefurtiamine (INN) is a vitamin B1 analog in a manner similar to the GABAergic activity of the thiamine derivative clomethiazole.[1] It functions as an analgesic agent at sufficient doses.

Acefurtiamine
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • (3E)-4-{[(4-Amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-[(furan-2-ylcarbonyl)sulfanyl]pent-3-en-1-yl (acetyloxy)acetate
CAS Number
PubChem CID
ChemSpider
UNII
ChEMBL
CompTox Dashboard (EPA)
Chemical and physical data
FormulaC21H24N4O7S
Molar mass476.50 g·mol−1
3D model (JSmol)
SMILES
  • O=C(OCC(=O)OCCC(\SC(=O)c1occc1)=C(/N(C=O)Cc2cnc(nc2N)C)C)C
InChI
  • InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+ Y
  • Key:MYBUGVXNAHWTOL-QGOAFFKASA-N Y
 NY (what is this?)  (verify)

References

  1. Martindale W (1993). The Extra Pharmacopoeia. Pharmaceutical Press. p. 1053. ISBN 978-0-85369-300-0.


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