Oseltamivir

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Systematic / IUPAC Name: Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

ID: Reference1104

Other Names: 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3α,4β,5α))-;
4-Acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid;
(3R,4R,5S)-4-Acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid;
(-)-Oseltamivir;
Agucort

Formula: C16H28N2O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Oseltamivir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/3/2014 3:41:03 PM
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Identificators

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
InChI Key VSZGPKBBMSAYNT-RRFJBIMHSA-N
Canonical SMILES CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
CAS 196618130
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Other Names 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3α,4β,5α))-;
4-Acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid;
(3R,4R,5S)-4-Acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid;
(-)-Oseltamivir;
Agucort

In Other Databases

Wikipedia Oseltamivir
ChemSpider 58540
ChEBI CHEBI:7798
ChemIDPlus 196618130
DrugBank APRD01148
ChEMBL CHEMBL1229
KEGG C08092; D08306
HMDb HMDB14343
PubChem 65028