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Edonerpic maleate

CAT: 0957-S6733-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S6733-01Size:5 mg
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Description
Edonerpic maleate (T-817) is a novel neurotrophic agent which can inhibit amyloid-β peptides (Aβ) .
CAS Number
519187-97-4
Synonyms
T-817 maleate
Target
Beta Amyloid
Activity
Neuronal Signaling
Molecular Formula
C20H25NO6S
Storage Conditions
3 years -20°C powder

Chemical Information

T-817 maleate
CAS Number519187-97-4
PubChem CID11338749
IUPAC Name1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol;(Z)-but-2-enedioic acid
Molecular FormulaC20H25NO6S
Molecular Weight407.5
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity415
SMILES
C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
RLUCYBFCLXANSO-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of T-817 maleate
CAS: 519187-97-4
CID: 11338749
Formula: C20H25NO6S
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass407.14025869
Monoisotopic Mass407.14025869
Topological Polar Surface Area136 Ų
Heavy Atom Count28
Formal Charge0
Complexity415
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
MBS3607524-01Edonerpic maleate
HY-17631A-01Edonerpic (maleate)
A16934-5Edonerpic maleate 5mg
A16934-100Edonerpic maleate 100mg
A16934-50Edonerpic maleate 50mg
A16934-200Edonerpic maleate 200mg
A16934-10Edonerpic maleate 10mg
A16934-25Edonerpic maleate 25mg
A16934-2Edonerpic maleate 2mg
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