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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 19:46, 16 February 2012 (Saving copy of the {{drugbox}} taken from revid 451608458 of page Acefurtiamine for the Chem/Drugbox validation project (updated: 'CAS_number').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 19:46, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 451608458 of page Acefurtiamine for the Chem/Drugbox validation project (updated: 'CAS_number').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{drugbox}}) taken from revid 451608458 of page Acefurtiamine with values updated to verified values.
Acefurtiamine
Identifiers
IUPAC name
  • (3E)-4-{(formyl)amino}-3-pent-3-en-1-yl (acetyloxy)acetate
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC21H24N4O7S
Molar mass476.503 g·mol
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+
  • Key:MYBUGVXNAHWTOL-QGOAFFKASA-N
  (verify)