U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26N2O4
Molecular Weight 298.3779
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OSELTAMIVIR ACID METHYL ESTER

SMILES

CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OC

InChI

InChIKey=HQFJHRGEFIDLDI-BFHYXJOUSA-N
InChI=1S/C15H26N2O4/c1-5-11(6-2)21-13-8-10(15(19)20-4)7-12(16)14(13)17-9(3)18/h8,11-14H,5-7,16H2,1-4H3,(H,17,18)/t12-,13+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H26N2O4
Molecular Weight 298.3779
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:57:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:57:57 GMT 2023
Record UNII
VA6M0DID7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OSELTAMIVIR ACID METHYL ESTER
Common Name English
OSELTAMIVIR PHOSPHATE IMPURITY E [EP IMPURITY]
Common Name English
1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(ACETYLAMINO)-5-AMINO-3-(1-ETHYLPROPOXY)-, METHYL ESTER, (3R,4R,5S)-
Systematic Name English
METHYL (3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)CYCLOHEX-1-ENE-1-CARBOXYLATE
Systematic Name English
OSELTAMIVIR PHOSPHATE IMPURITY D [WHO-IP]
Common Name English
METHYL (3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(1-ETHYLPROPOXY)CYCLOHEX-1-ENE-1-CARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
VA6M0DID7C
Created by admin on Sat Dec 16 09:57:57 GMT 2023 , Edited by admin on Sat Dec 16 09:57:57 GMT 2023
PRIMARY
PUBCHEM
11808666
Created by admin on Sat Dec 16 09:57:57 GMT 2023 , Edited by admin on Sat Dec 16 09:57:57 GMT 2023
PRIMARY
CAS
208720-71-2
Created by admin on Sat Dec 16 09:57:57 GMT 2023 , Edited by admin on Sat Dec 16 09:57:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Use the chromatogram obtained with solution (4) to identify the peaks due to impurities A, B, C and D. The impurity peaks are eluted at the following relative retention with reference to oseltamivir phosphate (retention time about 19 minutes): impurity D about 0.55. The test is not valid unless the resolution between the peaks due to impurities A and B and that between the peaks due to impurities C and D is at least 1.3.
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP