EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32307 - Zanamivir hydrate

ChEBI IDCHEBI:32307
ChEBI NameZanamivir hydrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC12H20N4O7.H2O
Net Charge0
Average Mass350.328
Monoisotopic Mass350.14376
SMILESO.[H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O
InChIInChI=1S/C12H20N4O7.H2O/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17;/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16);1H2/t5-,6+,8+,9+,10+;/m0./s1
InChIKeyOELRRAURPSTFEX-VCFRRRQNSA-N
ChEBI Ontology
Outgoing Relation(s)
Zanamivir hydrate (CHEBI:32307) is a acetamides (CHEBI:22160)
Synonyms  Source
Zanamivir hydrateKEGG COMPOUND
Relenza (TN)KEGG COMPOUND
Manual XrefsDatabases
D01937KEGG DRUG
Registry NumbersSources
CAS:171094-50-1KEGG COMPOUND