loading...| Preferred Name |
|
|
| Synonyms |
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate Oseltamivir GS-4104 oseltamivir oseltamivirum (-)-oseltamivir Tamiflu HSDB 7433 Agucort 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))- Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate |
|
| Definitions |
A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7798 |
|
| charge |
0 |
|
| database_cross_reference |
SNOMEDCT:386142008 NCIt:C62061 SNOMEDCT:412261005 MeSH:D053139 PMID:18936828 Wikipedia:Oseltamivir Reaxys:8003908 DrugBank:DB00198 PMID:11270942 KEGG:D08306 PMID:19557131 Patent:US5763483 PMID:19439487 PMID:11825310 PMID:19884755 CAS:196618-13-0 PMID:17912363 PMID:11075941 KEGG:C08092 HMDB:HMDB0014343 PMID:18559644 Beilstein:8003908 PMID:19355841 Drug_Central:2001 |
|
| definition |
A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. |
|
| formula |
C16H28N2O4 |
|
| has_alternative_id |
CHEBI:42582 |
|
| has_exact_synonym |
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate Oseltamivir |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
GS-4104 oseltamivir oseltamivirum (-)-oseltamivir Tamiflu HSDB 7433 Agucort 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))- Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate |
|
| has_role | ||
| id |
CHEBI:7798 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 |
|
| inchikey |
VSZGPKBBMSAYNT-RRFJBIMHSA-N |
|
| label |
oseltamivir |
|
| mass |
312.40450 |
|
| monoisotopicmass |
312.20491 |
|
| notation |
CHEBI:7798 |
|
| smiles |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |
|
| subClassOf |