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Arterolane

CAT: 1596-AR-A02596-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
664338-39-0
Molecular Formula
C22H36N2O4
Molecular Weight
392.54
API Name
Arterolane

Chemical Information

Arterolane

Arterolane is an oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine. It has a role as an antimalarial and an antiplasmodial drug. It is a secondary carboxamide, a trioxolane, an oxaspiro compound, a primary amino compound and a member of adamantanes. It is a conjugate base of an arterolane(1+).

CAS Number664338-39-0
PubChem CID10475633
Molecular FormulaC22H36N2O4
Molecular Weight392.5
XLogP2.4
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity598
SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
InChI
InChI=1S/C22H36N2O4/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/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKey
VXYZBLXGCYNIHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arterolane
CAS: 664338-39-0
CID: 10475633
Formula: C22H36N2O4
MW: 392.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass392.26750763
Monoisotopic Mass392.26750763
Topological Polar Surface Area82.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2069-5Arterolane
HY-10852AArterolane (maleate)
T26660-01Arterolane maleate
A14094-100Arterolane 100mg
A14094-10Arterolane 10mg
A14094-5Arterolane 5mg
CS-O-44718Arterolane-d4
HY-10852R-01Arterolane (Standard)
A14094-50Arterolane 50mg
A14094-25Arterolane 25mg

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