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Laninamivir octanoate

CAT: 0804-HY-14818A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14818A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Laninamivir octanoate (CS-8958), a proagent of Laninamivir, is a long-acting neuraminidase (NA) inhibitor with anti-influenza virus activity. Laninamivir octanoate shows anti-influenza activity against Oseltamivir-resistant viruses, and also against the pandemic influenza viruses[1][2].
CAS Number
203120-46-1
Product Name Alternative
CS-8958
UNSPSC
12352005
Target
Influenza Virus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/laninamivir-octanoate.html
Purity
98.57
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(N[C@H]1[C@](OC(C(O)=O)=C[C@@H]1NC(N)=N)([H])[C@H](OC)[C@H](O)COC(CCCCCCC)=O)=O
Molecular Formula
C21H36N4O8
Molecular Weight
472.53
References & Citations
[1]Makoto Yamashita, et al. CS-8958, a prodrug of the new neuraminidase inhibitor R-125489, shows long-acting anti-influenza virus activity. Antimicrob Agents Chemother. 2009 Jan;53 (1) :186-92.|[2]Hideyuki Ikematsu, et al. Laninamivir octanoate: a new long-acting neuraminidase inhibitor for the treatment of influenza. Expert Rev Anti Infect Ther. 2011 Oct;9 (10) :851-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Laninamivir octanoate

Laninamivir octanoate hydrate is a fatty acid ester.

CAS Number203120-46-1
PubChem CID9847629
IUPAC Name(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular FormulaC21H36N4O8
Molecular Weight472.5
XLogP0.4
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count33
Formal Charge0
Complexity723
SMILES
CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O
InChI
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
InChIKey
UKTIJASCFRNWCB-RMIBSVFLSA-N
Chemical Structure
2D Structure
2D structure of Laninamivir octanoate
CAS: 203120-46-1
CID: 9847629
Formula: C21H36N4O8
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass472.25331412
Monoisotopic Mass472.25331412
Topological Polar Surface Area196 Ų
Heavy Atom Count33
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-L174010-0.5MGLaninamivir Octanoate
T27797-01Laninamivir Octanoate Monohydrate
A22166-1Laninamivir octanoate 1mg
A22166-200Laninamivir octanoate 200mg
A22166-25Laninamivir octanoate 25mg
A22166-5Laninamivir octanoate 5mg
A22166-100Laninamivir octanoate 100mg
CS-T-96352Laninamivir Octanoate-d3
A22166-50Laninamivir octanoate 50mg
A22166-10Laninamivir octanoate 10mg

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