Oseltamivir Acid-D3

CAT: 1299-RM-O192012-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O192012-01Size:10 mg

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CAS Number

1242184-43-5

Synonyms

Oseltamivir acid-D3

Molecular Formula

C14H21D3N2O4

Molecular Weight

287.37

Target Alternative Name

Oseltamivir

Product Name Synonym

Oseltamivir acid-D3

Chemical Information

Oseltamivir acid-D3

CAS Number	1242184-43-5
PubChem CID	76973784
IUPAC Name	(3R,4R,5S)-5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
Molecular Formula	C14H24N2O4
Molecular Weight	287.37
XLogP	-1.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	391

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

CAS: 1242184-43-5

CID: 76973784

Formula: C14H24N2O4

MW: 287.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.37
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	287.19243749
Monoisotopic Mass	287.19243749
Topological Polar Surface Area	102 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	391
Isotope Atom Count	3
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-O192061-01	Oseltamivir-D3
RM-O192046-01	Oseltamivir-13C-D3 Carboxylic Acid
RM-O192114-01	Oseltamivir Phosphate EP Impurity C-D3 Hcl
RM-O192056-01	Oseltamivir Impurity 56; Oseltamivir Related Compound A
RM-O192180-01	Oseltamivir Phosphate
RM-O192213-01	Oseltamivir-D5
RG-A261440-01	Homovanillic Acid-D3
RM-M031627-01	Mycophenolic Acid D3
RM-O192132-01	Oseltamivir Impurity 132
RM-O192115-01	Oseltamivir Impurity 115

Catalog	Name
HY-13318S-01	Oseltamivir acid-d3
sc-219498	Oseltamivir-d3 Acid
HY-13318S1	Oseltamivir acid-13C, d3
TRC-O700983-25MG	Oseltamivir-13C2,d3 Acid
TMIJ-0071-01	Oseltamivir-13C-d3 Acid
461652-01	Oseltamivir-d3
AR-O01515-01	Oseltamivir-d3 Carboxylic Acid HCl
AR-O01535-01	Oseltamivir-13C-d3 Carboxylic Acid
TMIH-0412-01	Oseltamivir-d3 acid (3R,4S,5S)
CS-O-16412	Oseltamivir Acetamide-d3