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SS-Aminoarteether

CAT: 0127-BUP12198-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12198-01Size:5 mg
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CAS Number
133162-24-0
Synonyms
SS-Aminoarteether, SM934 free base
Purity
=95%
Smiles
C[C@@H]1[C@]2([C@]34[C@@](O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])(O[C@@H]1OCCN)[H])[H]

Chemical Information

beta-Aminoarteether

Beta-aminoarteether is an artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [beta (S) configuration at the new stereocentre]. It is a primary amino compound and an artemisinin derivative.

CAS Number133162-24-0
PubChem CID10019350
IUPAC Name2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanamine
Molecular FormulaC17H29NO5
Molecular Weight327.4
XLogP2.1
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity462
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C
InChI
InChI=1S/C17H29NO5/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10-15H,4-9,18H2,1-3H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
InChIKey
HPGHCIXRRLNXRN-XQLAAWPRSA-N
Chemical Structure
2D Structure
2D structure of beta-Aminoarteether
CAS: 133162-24-0
CID: 10019350
Formula: C17H29NO5
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass327.20457303
Monoisotopic Mass327.20457303
Topological Polar Surface Area72.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count8
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
BA6128-1β-Aminoarteether
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HY-137553Aβ-Aminoarteether (maleate)
abx085033-01SS-PEG-SS
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HO028028-10K-01SS-PEG-SS, 10K
HO028028-5K-01SS-PEG-SS, 5K
HO028028-2K-01SS-PEG-SS, 2K
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