Octotiamine

Octotiamine (INN, JAN; Gerostop, Neuvita, Neuvitan), also known as thioctothiamine, is an analogue of vitamin B1 which is used in Japan and Finland.[1][2]

Octotiamine
Clinical data
ATC code
  • None
Identifiers
IUPAC name
  • methyl 6-(acetylsulfanyl)-8-{[(2E)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]disulfanyl}octanoate
CAS Number
PubChem CID
ChemSpider
UNII
CompTox Dashboard (EPA)
Chemical and physical data
FormulaC23H36N4O5S3
Molar mass544.74 g·mol−1
3D model (JSmol)
SMILES
  • Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCO)/SSCCC(CCCCC(=O)OC)SC(=O)C)/C
InChI
  • InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)/b21-16+
  • Key:VJTXQHYNRDGLON-LTGZKZEYSA-N

See also
  • Vitamin B1 analogue

References
  1. Ganellin CR, Triggle DJ (21 November 1996). Dictionary of Pharmacological Agents. CRC Press. pp. 1469–. ISBN 978-0-412-46630-4.
  2. Index Nominum 2000: International Drug Directory. Taylor & Francis. January 2000. pp. 756–. ISBN 978-3-88763-075-1.


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