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CHEBI:81714 - Fursultiamine hydrochloride

Default Structure
ChEBI IDCHEBI:81714
ChEBI NameFursultiamine hydrochloride
Stars
DownloadsMolfile
FormulaC17H26N4O3S2.HCl
Net Charge0
Average Mass435.015
Monoisotopic Mass434.12131
SMILESC/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N.Cl
InChIInChI=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+;
InChIKeyOPGOLNDOMSBSCW-CLNHMMGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Fursultiamine hydrochloride (CHEBI:81714) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C18376KEGG COMPOUND
D03321KEGG DRUG
Registry NumbersSources
CAS:2105-43-3KEGG COMPOUND