| CAS Number | 956267-10-0 |
| Catalog Number | AG01CBFJ(AGN-PC-0WH2VV) |
| Chemical Name | 4-N-Desacetyl-5-N-acetyl Oseltamivir |
| IUPAC Name | ethyl 5-acetamido-4-amino-3-pentan-3-yloxycyclohexene-1-carboxylate |
| InChI | InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(15(14)17)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) |
| InChI Key | SEYYJZMDDOOQNB-UHFFFAOYSA-N |
| MDL Number | MFCD08483811 |
| Molecular Formula | C16H28N2O4 |
| Molecular Weight | 312.4045 |
| SMILES | CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N)[C@H](C1)NC(=O)C |
| Synonyms | 4-N-Desacetyl-5-N-acetyl Oseltamivir,
956267-10-0,
Oseltamivir Impurity G,
FT-0665871,
(3R,4R,5S)-5-(Acetylamino)-4-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic Acid Ethyl Ester,
UNII-300BX85SHX,
Oseltamivir phosphate impurity G [EP],
Ethyl (3R,4R,5S)-5-acetamido-4-amino-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate,
1-Cyclohexene-1-carboxylic acid, 5-(acetylamino)-4-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-,
1796881-09-8,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.41g/mol |
| Monoisotopic Mass | 312.205g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number