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CHEBI:7799 - oseltamivir phosphate

ChEBI IDCHEBI:7799
ChEBI Nameoseltamivir phosphate
Stars
Last Modified22 May 2009
DownloadsMolfile
FormulaC16H28N2O4.H3O4P
Net Charge0
Average Mass410.404
Monoisotopic Mass410.18180
SMILESCCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O
InChIInChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
InChIKeyPGZUMBJQJWIWGJ-ONAKXNSWSA-N
ChEBI Ontology
Outgoing Relation(s)
oseltamivir phosphate (CHEBI:7799) has part oseltamivir (CHEBI:7798)
oseltamivir phosphate (CHEBI:7799) is a phosphate salt (CHEBI:37853)
IUPAC Name 
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate phosphate
Synonyms  Source
Oseltamivir phosphateKEGG COMPOUND
(3R-(3α,4β,5α))-Ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1)ChemIDplus
Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1)ChemIDplus
Brand Name  Source
TamifluDrugBank
Manual XrefsDatabases
C08093KEGG COMPOUND
D00900KEGG DRUG
DB00198DrugBank
Registry NumbersSources
Beilstein:8101020Beilstein
CAS:204255-11-8ChemIDplus