ChemicalBook--->CAS DataBase List--->1402431-91-7

1402431-91-7

1402431-91-7 Structure

1402431-91-7 Structure
IdentificationBack Directory
[Name]

(3R,4R,5R)-ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
[CAS]

1402431-91-7
[Synonyms]

Oseltamivir Diastereomer IV HCl
(3R,4R,5R)-ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
ethyl (3R,4R,5R)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
(3R,4R,5R)-ethyl4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylatephosphate
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5R)-
[Molecular Formula]

C16H28N2O4
[MOL File]

1402431-91-7.mol
[Molecular Weight]

312.4
Chemical PropertiesBack Directory
[Boiling point ]

473.3±45.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[pka]

14.68±0.70(Predicted)
[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-/m1/s1
[InChIKey]

VSZGPKBBMSAYNT-RBSFLKMASA-N
[SMILES]

C1(C(OCC)=O)C[C@@H](N)[C@@H](NC(C)=O)[C@H](OC(CC)CC)C=1
Hazard InformationBack Directory
[Uses]

(3R,4R,5R)-Ethyl 4-Acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate is a stereoisomer of Oseltamivir (O701005), an important antiviral drug and an orally active inhibitor of influenza virus neuraminidase.
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