Fursultiamine Hydrochloride

Analyte Name

Fursultiamine hydrochloride

CAS Number

2105-43-3

Molecular Formula

C17H27ClN4O3S2

Molecular Weight

435.00

Accurate Mass

434.121

SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C.C

InChI

InChI=1S/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H/b16-12+;

IUPAC

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide;hydrochloride

Alternate CAS Number

Free amine: 804-30-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)