Translations:Octotiamine/1/en

Octotiamine/1/en
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
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