Octotiamine

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	137-86-0;
PubChem CID	3034020;
ChemSpider	2298574;
UNII	UN1Q7096GA;
CompTox Dashboard (EPA)	DTXSID3057640 ;
Chemical and physical data
Formula	C23H36N4O5S3
Molar mass	544.74 g·mol−1
3D model (JSmol)	Interactive image;
	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;

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]

References

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

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[GanellinTriggle1996-1] Ganellin CR, Triggle DJ (21 November 1996). Dictionary of Pharmacological Agents. CRC Press. pp. 1469–. ISBN 978-0-412-46630-4.

[IndexNominum2000-2] Index Nominum 2000: International Drug Directory. Taylor & Francis. January 2000. pp. 756–. ISBN 978-3-88763-075-1.

[1]

[2]

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	137-86-0
PubChem CID	3034020
ChemSpider	2298574
UNII	UN1Q7096GA
CompTox Dashboard (EPA)	DTXSID3057640
Chemical and physical data
Formula	C₂₃H₃₆N₄O₅S₃
Molar mass	544.74 g·mol⁻¹
3D model (JSmol)	Interactive image
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

Octotiamine

See also

References