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Oseltamivir Phosphate

CAT: 0572-TRC-O701000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O701000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204255-11-8
Synonyms
Oseltamivir phosphate; Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate phosphate
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(=O)C)[C@@H](N)C1.OP(=O)(O)O
Molecular Formula
C16 H28 N2 O4 . H3 O4 P
Molecular Weight
410.4
InChI
InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
Additionnal Information
IUPAC name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tamiflu

Oseltamivir phosphate is a phosphate salt. It contains an oseltamivir.

CAS Number204255-11-8
PubChem CID78000
IUPAC Nameethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acid
Molecular FormulaC16H31N2O8P
Molecular Weight410.40
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity468
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.OP(=O)(O)O
InChI
InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
InChIKey
PGZUMBJQJWIWGJ-ONAKXNSWSA-N
Chemical Structure
2D Structure
2D structure of Tamiflu
CAS: 204255-11-8
CID: 78000
Formula: C16H31N2O8P
MW: 410.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.40
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass410.18180295
Monoisotopic Mass410.18180295
Topological Polar Surface Area168 Ų
Heavy Atom Count27
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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