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BP13944

CAT: 0931-T25171-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25171-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1622060-51-8
Target
Others, Anti-infection
Related Pathways
Microbiology/Virology, Others
Bioactivity
BP13944 is used as a potential dengue virus NS2B/NS3 protease inhibitor.
Smiles
[Br-].OC[N+](CO)(CC)CCCCCCCCCCCCCCCC
Molecular Formula
C20H44BrNO2
Molecular Weight
410.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl-hexadecyl-bis(hydroxymethyl)azanium bromide
CAS Number1622060-51-8
PubChem CID73669796
IUPAC Nameethyl-hexadecyl-bis(hydroxymethyl)azanium bromide
Molecular FormulaC20H44BrNO2
Molecular Weight410.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count24
Formal Charge0
Complexity230
SMILES
CCCCCCCCCCCCCCCC[N+](CC)(CO)CO.[Br-]
InChI
InChI=1S/C20H44NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2,19-22)20-23;/h22-23H,3-20H2,1-2H3;1H/q+1;/p-1
InChIKey
CYOFBZRGYTVCGJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ethyl-hexadecyl-bis(hydroxymethyl)azanium bromide
CAS: 1622060-51-8
CID: 73669796
Formula: C20H44BrNO2
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass409.25554
Monoisotopic Mass409.25554
Topological Polar Surface Area40.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-136797BP13944

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