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Oseltamivir-d3 Acid

CAT: 0572-TRC-O700982-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O700982-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1242184-43-5
Synonyms
[3R-(3α,4β,5α)]-4-[(Acetyl-d3)amino]-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid; (3R,4R,5S)-4-[(Acetyl-d3)amino]-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid; Oseltamivir acid-d3; Oseltamivir acid D3 (N-Acetyl-D3); (3R,4R,5S)-4-(Acetamido-2,2,2-d3)-5-amino-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylic acid
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(CC)CC)C(=O)O
Molecular Formula
C14 2H3 H21 N2 O4
Molecular Weight
287.37
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1/i3D3
Additionnal Information
IUPAC name: (3R,4R,5S)-5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oseltamivir acid-D3
CAS Number1242184-43-5
PubChem CID76973784
IUPAC Name(3R,4R,5S)-5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
Molecular FormulaC14H24N2O4
Molecular Weight287.37
XLogP-1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity391
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(=C[C@H]1OC(CC)CC)C(=O)O)N
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1/i3D3
InChIKey
NENPYTRHICXVCS-HCNPJKKLSA-N
Chemical Structure
2D Structure
2D structure of Oseltamivir acid-D3
CAS: 1242184-43-5
CID: 76973784
Formula: C14H24N2O4
MW: 287.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.37
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass287.19243749
Monoisotopic Mass287.19243749
Topological Polar Surface Area102 Ų
Heavy Atom Count20
Formal Charge0
Complexity391
Isotope Atom Count3
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TMIH-0412-01Oseltamivir-d3 acid (3R,4S,5S)
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