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Arterolane maleate

CAT: 0931-T26660-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26660-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959520-73-1
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Arterolane, an adenosine triphosphatase inhibitor, is used potentially for the treatment of malaria.
Smiles
OC(=O)\C=C/C(O)=O.[H][C@]12CC3CC(C1)C[C@@]([H])(C3)C21OO[C@@]2(CC[C@H](CC(=O)NCC(C)(C)N)CC2)O1 |wU:25.27,16.16,wD:22.39,9.7,(-3.08,,;-1.54,,;-.77,-1.33,;-.77,1.33,;.77,1.33,;1.54,,;3.08,,;.77,-1.33,;19.12,2.96,;20.61,2.57,;20.61,3.97,;21.98,4.66,;23.35,3.97,;23.35,2.57,;21.98,1.87,;22.51,1.1,;21.14,1.79,;21.14,.25,;21.14,3.19,;19.77,1.1,;20,-.43,;18.62,-1.11,;17.54,-.01,;16.58,1.2,;15.06,.98,;14.49,-.46,;12.97,-.68,;12.4,-2.11,;13.35,-3.32,;10.88,-2.33,;10.31,-3.77,;8.78,-3.99,;7.26,-4.21,;9.01,-5.51,;8.56,-2.47,;15.45,-1.66,;16.97,-1.44,;18.25,1.36,)|
Molecular Formula
C26H40N2O8
Molecular Weight
508.612
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arterolane Maleate

Arterolane maleate is the maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine. It has a role as an antimalarial and an antiplasmodial drug. It contains an arterolane(1+).

CAS Number959520-73-1
PubChem CID44139912
Molecular FormulaC26H40N2O8
Molecular Weight508.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity717
SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C22H36N2O4.C4H4O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;5-3(6)1-2-4(7)8/h14-18H,3-13,23H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
SVDSPJJUJMMDFX-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Arterolane Maleate
CAS: 959520-73-1
CID: 44139912
Formula: C26H40N2O8
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass508.27846624
Monoisotopic Mass508.27846624
Topological Polar Surface Area157 Ų
Heavy Atom Count36
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-10852AArterolane (maleate)
MBS5776388Arterolane maleate
M15532-01Arterolane
CS-O-44718Arterolane-d4
HY-10852R-01Arterolane (Standard)
A14094-50Arterolane 50mg
A14094-25Arterolane 25mg
A14094-100Arterolane 100mg
A14094-10Arterolane 10mg
A14094-5Arterolane 5mg

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